2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C20H28N6O2 — CID 129342942

IUPAC2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCc3nn(C)c(=O)cc3C2)n1
InChIInChI=1S/C20H28N6O2/c1-13(2)19-16(5-4-10-28-19)22-17-6-8-21-20(23-17)26-9-7-15-14(12-26)11-18(27)25(3)24-15/h6,8,11,13,16,19H,4-5,7,9-10,12H2,1-3H3,(H,21,22,23)/t16-,19-/m0/s1
InChIKeyVOPAYQMFIAVTHR-LPHOPBHVSA-N
MW384.48 g/mol
LogP1.75
Rot. Bonds4

About 2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 129342942) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID129342942
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCc3nn(C)c(=O)cc3C2)n1
InChIInChI=1S/C20H28N6O2/c1-13(2)19-16(5-4-10-28-19)22-17-6-8-21-20(23-17)26-9-7-15-14(12-26)11-18(27)25(3)24-15/h6,8,11,13,16,19H,4-5,7,9-10,12H2,1-3H3,(H,21,22,23)/t16-,19-/m0/s1
InChIKeyVOPAYQMFIAVTHR-LPHOPBHVSA-N
XLogP1.75
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 129475129
1-[1-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 129340128
1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048455
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
CID 129343408
(3R)-N-ethyl-1-[4-[[(2R,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]pyrrolidine-3-sulfonamide
CID 129336698
(2R)-4-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]morpholine-2-carbonitrile
CID 129342483
N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine
CID 129339533
6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129474157
6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129474155
2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid
CID 122047251
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
CID 129341346
2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
CID 129333496

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 129342942) is 2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCc3nn(C)c(=O)cc3C2)n1.
What is the InChIKey of 2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is VOPAYQMFIAVTHR-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-13(2)19-16(5-4-10-28-19)22-17-6-8-21-20(23-17)26-9-7-15-14(12-26)11-18(27)25(3)24-15/h6,8,11,13,16,19H,4-5,7,9-10,12H2,1-3H3,(H,21,22,23)/t16-,19-/m0/s1.
What are the key properties of 2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 384.48 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 129342942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).