4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one

C11H20N4O — CID 136752202

IUPAC4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CCCN(C)C)c1cc(=O)[nH]cn1
InChIInChI=1S/C11H20N4O/c1-4-15(7-5-6-14(2)3)10-8-11(16)13-9-12-10/h8-9H,4-7H2,1-3H3,(H,12,13,16)
InChIKeyPTTXCUFVQSTKQF-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.55
Rot. Bonds6

About 4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one

4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one (PubChem CID 136752202) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
PubChem CID136752202
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CCCN(C)C)c1cc(=O)[nH]cn1
InChIInChI=1S/C11H20N4O/c1-4-15(7-5-6-14(2)3)10-8-11(16)13-9-12-10/h8-9H,4-7H2,1-3H3,(H,12,13,16)
InChIKeyPTTXCUFVQSTKQF-UHFFFAOYSA-N
XLogP0.55
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Dimethylamino)-4(3H)-pyrimidinone
CID 135755308
6-piperazin-1-yl-3H-pyrimidin-4-one
CID 136102540
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
2-Amino-6-(propylamino)pyrimidin-4(1h)-one
CID 135408601
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
2-amino-6-(diethylamino)pyrimidin-4(3H)-one
CID 136776186
4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136957582
4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957960
4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one
CID 136979145
6-[(2,2-Difluoropropyl)(methyl)amino]-3,4-dihydropyrimidin-4-one
CID 164653011
3-Methyl-6-piperazin-1-ylpyrimidin-4-one
CID 117713852

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one (CID 136752202) is 4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one is CCN(CCCN(C)C)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The InChIKey is PTTXCUFVQSTKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-15(7-5-6-14(2)3)10-8-11(16)13-9-12-10/h8-9H,4-7H2,1-3H3,(H,12,13,16).
What are the key properties of 4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one has a molecular weight of 224.31 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136752202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).