5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one

C11H19ClN4O — CID 136800370

IUPAC5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(c1nc[nH]c(=O)c1Cl)C(C)CN(C)C
InChIInChI=1S/C11H19ClN4O/c1-5-16(8(2)6-15(3)4)10-9(12)11(17)14-7-13-10/h7-8H,5-6H2,1-4H3,(H,13,14,17)
InChIKeyKQTIXKSITQIJCZ-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.20
Rot. Bonds5

About 5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one

5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one (PubChem CID 136800370) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one
PubChem CID136800370
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(c1nc[nH]c(=O)c1Cl)C(C)CN(C)C
InChIInChI=1S/C11H19ClN4O/c1-5-16(8(2)6-15(3)4)10-9(12)11(17)14-7-13-10/h7-8H,5-6H2,1-4H3,(H,13,14,17)
InChIKeyKQTIXKSITQIJCZ-UHFFFAOYSA-N
XLogP1.20
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971137
N-butan-2-yl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 114582954
5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672454
4-(3-amino-4-methylpyrrolidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136677205
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
CID 136713546
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713572
5-chloro-4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726418
5-chloro-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726426
5-chloro-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726434
5-chloro-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731502
5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752198
5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752200

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one (CID 136800370) is 5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one is CCN(c1nc[nH]c(=O)c1Cl)C(C)CN(C)C.
What is the InChIKey of 5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one?
The InChIKey is KQTIXKSITQIJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-5-16(8(2)6-15(3)4)10-9(12)11(17)14-7-13-10/h7-8H,5-6H2,1-4H3,(H,13,14,17).
What are the key properties of 5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one?
5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one has a molecular weight of 258.75 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136800370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).