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

C10H18N4O — CID 136757519

IUPAC5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(CC)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O/c1-4-10(3,5-2)14-8-7(11)9(15)13-6-12-8/h6H,4-5,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyKIGBKTHOHHSNGM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.34
Rot. Bonds4

About 5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one

5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136757519) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136757519
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(CC)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O/c1-4-10(3,5-2)14-8-7(11)9(15)13-6-12-8/h6H,4-5,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyKIGBKTHOHHSNGM-UHFFFAOYSA-N
XLogP1.34
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135442228
2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride
CID 135689386
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane
CID 155698940
9-(2-methylbutan-2-yl)-7,8-dihydro-1H-purin-6-one
CID 169654968
5-amino-4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 135568285
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135568292
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-(butan-2-ylamino)-1H-pyrimidin-6-one
CID 135575730
5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one
CID 135709694

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one (CID 136757519) is 5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one is CCC(C)(CC)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is KIGBKTHOHHSNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-10(3,5-2)14-8-7(11)9(15)13-6-12-8/h6H,4-5,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136757519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).