5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one

C10H16N4O — CID 136870764

IUPAC5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
SMILESCCCC1CC1Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O/c1-2-3-6-4-7(6)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4,11H2,1H3,(H2,12,13,14,15)
InChIKeyYGTHULDKGQOJRE-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.95
Rot. Bonds4

About 5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136870764) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
PubChem CID136870764
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
SMILESCCCC1CC1Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O/c1-2-3-6-4-7(6)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4,11H2,1H3,(H2,12,13,14,15)
InChIKeyYGTHULDKGQOJRE-UHFFFAOYSA-N
XLogP0.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
CID 135524426
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one
CID 135449031
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135568323
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-(cycloheptylamino)-1H-pyrimidin-6-one
CID 135575728
5-Amino-6-(cyclohexylamino)pyrimidin-4(3H)-one
CID 135741811
5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689854
5-amino-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731497
5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733816

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one (CID 136870764) is 5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one is CCCC1CC1Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is YGTHULDKGQOJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-3-6-4-7(6)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).