5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one

C11H19N5O — CID 114207014

IUPAC5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one
SMILESCN1CCCN(C)C(c2ncc(N)c(=O)[nH]2)C1
InChIInChI=1S/C11H19N5O/c1-15-4-3-5-16(2)9(7-15)10-13-6-8(12)11(17)14-10/h6,9H,3-5,7,12H2,1-2H3,(H,13,14,17)
InChIKeyFBPLASDFQBDRDB-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.34
Rot. Bonds1

About 5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one

5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one (PubChem CID 114207014) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one
PubChem CID114207014
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one
SMILESCN1CCCN(C)C(c2ncc(N)c(=O)[nH]2)C1
InChIInChI=1S/C11H19N5O/c1-15-4-3-5-16(2)9(7-15)10-13-6-8(12)11(17)14-10/h6,9H,3-5,7,12H2,1-2H3,(H,13,14,17)
InChIKeyFBPLASDFQBDRDB-UHFFFAOYSA-N
XLogP-0.34
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-dimethyl-1,4-diazepan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136326548
4-methyl-2-[1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethyl]-1H-pyrimidin-6-one
CID 137028887
4-methyl-2-[(1R)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethyl]-1H-pyrimidin-6-one
CID 137060911
4-methyl-2-[(1S)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethyl]-1H-pyrimidin-6-one
CID 137060912
5-amino-2-ethyl-1H-pyrimidin-6-one
CID 20276620
4,6,7,8,9,10-Hexahydropyrimido[1,2-d][1,4]diazepine-2-carboxamide
CID 154212444
2-(5-Amino-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 170789641
2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one
CID 79659297
2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 81820905
5-bromo-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one
CID 81820983
2-(1,4-dimethyl-1,4-diazepan-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 81820984
2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one
CID 81821327

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one (CID 114207014) is 5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one is CN1CCCN(C)C(c2ncc(N)c(=O)[nH]2)C1.
What is the InChIKey of 5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is FBPLASDFQBDRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15-4-3-5-16(2)9(7-15)10-13-6-8(12)11(17)14-10/h6,9H,3-5,7,12H2,1-2H3,(H,13,14,17).
What are the key properties of 5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one?
5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114207014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).