4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one

C10H17N3O — CID 136757525

IUPAC4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(CC)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O/c1-4-10(3,5-2)13-8-6-9(14)12-7-11-8/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyPJDYOTLRNIWIKB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.76
Rot. Bonds4

About 4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one

4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136757525) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136757525
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(CC)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O/c1-4-10(3,5-2)13-8-6-9(14)12-7-11-8/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyPJDYOTLRNIWIKB-UHFFFAOYSA-N
XLogP1.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
4-[butan-2-yl(ethyl)amino]-1H-pyrimidin-6-one
CID 136449958
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957461
Ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
CID 169237699
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823
4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704110
4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750479
4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136757122
5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757519

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one (CID 136757525) is 4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one is CCC(C)(CC)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is PJDYOTLRNIWIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-10(3,5-2)13-8-6-9(14)12-7-11-8/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136757525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).