4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one

C14H26N4O — CID 136955975

IUPAC4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)CCCC(C)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C14H26N4O/c1-5-18(6-2)9-7-8-11(3)15-13-10-14(19)17-12(4)16-13/h10-11H,5-9H2,1-4H3,(H2,15,16,17,19)
InChIKeyVCXQAUHMZRVLCG-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.00
Rot. Bonds8

About 4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one

4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136955975) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136955975
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)CCCC(C)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C14H26N4O/c1-5-18(6-2)9-7-8-11(3)15-13-10-14(19)17-12(4)16-13/h10-11H,5-9H2,1-4H3,(H2,15,16,17,19)
InChIKeyVCXQAUHMZRVLCG-UHFFFAOYSA-N
XLogP2.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136972348
4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136957144
4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine
CID 80785658
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 66325658
2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile
CID 83073411
2-methyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 137000531
1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine
CID 43095595
(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine
CID 36691119
4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136957293
(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
CID 40545835
2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one
CID 137000544
4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64831242

Frequently Asked Questions

What is the IUPAC name of 4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one (CID 136955975) is 4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one is CCN(CC)CCCC(C)Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VCXQAUHMZRVLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-18(6-2)9-7-8-11(3)15-13-10-14(19)17-12(4)16-13/h10-11H,5-9H2,1-4H3,(H2,15,16,17,19).
What are the key properties of 4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one?
4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 266.39 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).