2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one

C9H17N5O — CID 170867331

IUPAC2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one
SMILESCN(C)CCCc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C9H17N5O/c1-14(2)5-3-4-6-7(10)12-9(11)13-8(6)15/h3-5H2,1-2H3,(H5,10,11,12,13,15)
InChIKeyIRSOGDGYDOIBBL-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.57
Rot. Bonds4

About 2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one

2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one (PubChem CID 170867331) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one
PubChem CID170867331
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one
SMILESCN(C)CCCc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C9H17N5O/c1-14(2)5-3-4-6-7(10)12-9(11)13-8(6)15/h3-5H2,1-2H3,(H5,10,11,12,13,15)
InChIKeyIRSOGDGYDOIBBL-UHFFFAOYSA-N
XLogP-0.57
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135493668
2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 155776253
2,4-diamino-5-(3-methylbut-2-enyl)-1H-pyrimidin-6-one
CID 135420445
4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one
CID 137286206
2-amino-5-(2-bromoethyl)-4-methyl-1H-pyrimidin-6-one
CID 135442066
ethyl 4-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propylsulfanyl]benzoate
CID 135976864
2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one
CID 136955171
2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
CID 135905258
3-[2-amino-6-oxo-5-(4-phenylbutyl)-1H-pyrimidin-4-yl]prop-2-enoic acid
CID 135532975
ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate
CID 118369795
2,4-diamino-5-[(4-chlorothiophen-3-yl)methyl]-1H-pyrimidin-6-one
CID 154008703
2-[[4-[4-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioic acid
CID 135758947

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one (CID 170867331) is 2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one is CN(C)CCCc1c(N)nc(N)[nH]c1=O.
What is the InChIKey of 2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one?
The InChIKey is IRSOGDGYDOIBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-14(2)5-3-4-6-7(10)12-9(11)13-8(6)15/h3-5H2,1-2H3,(H5,10,11,12,13,15).
What are the key properties of 2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one?
2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one has a molecular weight of 211.27 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 170867331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).