5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one

C13H25N5O — CID 136752206

IUPAC5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CC)CCCN(CC)c1nc[nH]c(=O)c1N
InChIInChI=1S/C13H25N5O/c1-4-17(5-2)8-7-9-18(6-3)12-11(14)13(19)16-10-15-12/h10H,4-9,14H2,1-3H3,(H,15,16,19)
InChIKeySBGHVHPYLBMOQQ-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.91
Rot. Bonds8

About 5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one

5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one (PubChem CID 136752206) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
PubChem CID136752206
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CC)CCCN(CC)c1nc[nH]c(=O)c1N
InChIInChI=1S/C13H25N5O/c1-4-17(5-2)8-7-9-18(6-3)12-11(14)13(19)16-10-15-12/h10H,4-9,14H2,1-3H3,(H,15,16,19)
InChIKeySBGHVHPYLBMOQQ-UHFFFAOYSA-N
XLogP0.91
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009081
5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136979773
4-[2-aminoethyl(ethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008333
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 137016005
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid
CID 136958649
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 136989947
4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009080
4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 102998979
5-amino-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009396
5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 102998924
5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 137009099
5-amino-4-[chloro(iodo)amino]-1H-pyrimidin-6-one
CID 166673253

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one (CID 136752206) is 5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one is CCN(CC)CCCN(CC)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The InChIKey is SBGHVHPYLBMOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-17(5-2)8-7-9-18(6-3)12-11(14)13(19)16-10-15-12/h10H,4-9,14H2,1-3H3,(H,15,16,19).
What are the key properties of 5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one has a molecular weight of 267.38 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136752206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).