2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one

C9H16N4O — CID 135462793

IUPAC2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCCN(C)C)n1
InChIInChI=1S/C9H16N4O/c1-7-6-8(14)12-9(11-7)10-4-5-13(2)3/h6H,4-5H2,1-3H3,(H2,10,11,12,14)
InChIKeyCDLOVMWLNQIRSM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.05
Rot. Bonds4

About 2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one

2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135462793) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one
PubChem CID135462793
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCCN(C)C)n1
InChIInChI=1S/C9H16N4O/c1-7-6-8(14)12-9(11-7)10-4-5-13(2)3/h6H,4-5H2,1-3H3,(H2,10,11,12,14)
InChIKeyCDLOVMWLNQIRSM-UHFFFAOYSA-N
XLogP0.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135840406
4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135527667
1-[3-(dimethylamino)propyl]-3-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]urea
CID 136636053
ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 145166699
(2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide
CID 136662261
(2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride
CID 154901897
2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
CID 135511505
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052116
2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135764107
2-hydroxy-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-4-methylsulfanylbutanamide
CID 136665349
(2R)-2-hydroxy-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-4-methylsulfanylbutanamide
CID 136864153
trans-(1R,3S)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide
CID 135914874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one (CID 135462793) is 2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NCCN(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CDLOVMWLNQIRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-6-8(14)12-9(11-7)10-4-5-13(2)3/h6H,4-5H2,1-3H3,(H2,10,11,12,14).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one?
2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135462793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).