6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione

C21H30N6O4 — CID 126931572

IUPAC6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(NCC2CCCCN2c2ccc(=O)n(C3CCCCC3O)n2)[nH]c1=O
InChIInChI=1S/C21H30N6O4/c1-25-20(30)12-17(23-21(25)31)22-13-14-6-4-5-11-26(14)18-9-10-19(29)27(24-18)15-7-2-3-8-16(15)28/h9-10,12,14-16,22,28H,2-8,11,13H2,1H3,(H,23,31)
InChIKeyNCZGHPGDECYDIO-UHFFFAOYSA-N
MW430.51 g/mol
LogP0.58
Rot. Bonds5

About 6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione

6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 126931572) has the molecular formula C21H30N6O4 and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID126931572
Molecular FormulaC21H30N6O4
Molecular Weight430.51 g/mol
Exact Mass430.23
IUPAC Name6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(NCC2CCCCN2c2ccc(=O)n(C3CCCCC3O)n2)[nH]c1=O
InChIInChI=1S/C21H30N6O4/c1-25-20(30)12-17(23-21(25)31)22-13-14-6-4-5-11-26(14)18-9-10-19(29)27(24-18)15-7-2-3-8-16(15)28/h9-10,12,14-16,22,28H,2-8,11,13H2,1H3,(H,23,31)
InChIKeyNCZGHPGDECYDIO-UHFFFAOYSA-N
XLogP0.58
TPSA125.25 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

2-(2-hydroxycyclopentyl)-6-[2-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931459
2-(2-hydroxycyclopentyl)-6-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931356
6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one
CID 126931360
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide
CID 126931271
2-(2-hydroxycyclopentyl)-6-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931434
2-(2-hydroxycyclohexyl)-6-[2-[[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931651
6-[2-[[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one
CID 126931566
6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one
CID 126931560
2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931570
N-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 126931518
2-(2-hydroxycyclopentyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931370
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]pyrimidine-2-carboxamide
CID 126931295

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione (CID 126931572) is 6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(NCC2CCCCN2c2ccc(=O)n(C3CCCCC3O)n2)[nH]c1=O.
What is the InChIKey of 6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is NCZGHPGDECYDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O4/c1-25-20(30)12-17(23-21(25)31)22-13-14-6-4-5-11-26(14)18-9-10-19(29)27(24-18)15-7-2-3-8-16(15)28/h9-10,12,14-16,22,28H,2-8,11,13H2,1H3,(H,23,31).
What are the key properties of 6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione?
6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 430.51 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126931572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).