4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one

C10H18N4O — CID 136978828

IUPAC4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCCC(CN)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H18N4O/c1-2-3-4-8(6-11)14-9-5-10(15)13-7-12-9/h5,7-8H,2-4,6,11H2,1H3,(H2,12,13,14,15)
InChIKeyOEYWSARAYCTAQP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.70
Rot. Bonds6

About 4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one

4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136978828) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136978828
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCCC(CN)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H18N4O/c1-2-3-4-8(6-11)14-9-5-10(15)13-7-12-9/h5,7-8H,2-4,6,11H2,1H3,(H2,12,13,14,15)
InChIKeyOEYWSARAYCTAQP-UHFFFAOYSA-N
XLogP0.70
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
5-amino-2-(hexylamino)-1H-pyrimidin-6-one
CID 20276621
2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
CID 135524426
1-(4-amino-6-oxo-1H-pyrimidin-2-yl)-3-cyclohexylurea
CID 136084608
4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
4-[butan-2-yl(ethyl)amino]-1H-pyrimidin-6-one
CID 136449958
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one
CID 137060567

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one (CID 136978828) is 4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one is CCCCC(CN)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is OEYWSARAYCTAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-3-4-8(6-11)14-9-5-10(15)13-7-12-9/h5,7-8H,2-4,6,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one?
4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136978828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).