5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one

C14H25N5O — CID 136974603

IUPAC5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one
SMILESCC1CCCC(CNc2nc[nH]c(=O)c2N)(N(C)C)C1
InChIInChI=1S/C14H25N5O/c1-10-5-4-6-14(7-10,19(2)3)8-16-12-11(15)13(20)18-9-17-12/h9-10H,4-8,15H2,1-3H3,(H2,16,17,18,20)
InChIKeyHSZNCBABVJXSSQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.27
Rot. Bonds4

About 5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one

5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136974603) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136974603
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one
SMILESCC1CCCC(CNc2nc[nH]c(=O)c2N)(N(C)C)C1
InChIInChI=1S/C14H25N5O/c1-10-5-4-6-14(7-10,19(2)3)8-16-12-11(15)13(20)18-9-17-12/h9-10H,4-8,15H2,1-3H3,(H2,16,17,18,20)
InChIKeyHSZNCBABVJXSSQ-UHFFFAOYSA-N
XLogP1.27
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one (CID 136974603) is 5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one is CC1CCCC(CNc2nc[nH]c(=O)c2N)(N(C)C)C1.
What is the InChIKey of 5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is HSZNCBABVJXSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-10-5-4-6-14(7-10,19(2)3)8-16-12-11(15)13(20)18-9-17-12/h9-10H,4-8,15H2,1-3H3,(H2,16,17,18,20).
What are the key properties of 5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one?
5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 279.39 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).