5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one

C10H16N4O2 — CID 136902395

IUPAC5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCC2CCC(O)C2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(13-5-14-10(8)16)12-4-6-1-2-7(15)3-6/h5-7,15H,1-4,11H2,(H2,12,13,14,16)
InChIKeyZIVMHOWAQITMBV-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.08
Rot. Bonds3

About 5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136902395) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136902395
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCC2CCC(O)C2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(13-5-14-10(8)16)12-4-6-1-2-7(15)3-6/h5-7,15H,1-4,11H2,(H2,12,13,14,16)
InChIKeyZIVMHOWAQITMBV-UHFFFAOYSA-N
XLogP-0.08
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
5-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746821
5-amino-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759212
5-amino-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817765
5-amino-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823126
5-amino-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136901123
5-bromo-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136902396
4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136902406
4-[(3-hydroxycyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136902407
5-chloro-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136902409
5-amino-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136975415
5-amino-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976031

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136902395) is 5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one is Nc1c(NCC2CCC(O)C2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is ZIVMHOWAQITMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-8-9(13-5-14-10(8)16)12-4-6-1-2-7(15)3-6/h5-7,15H,1-4,11H2,(H2,12,13,14,16).
What are the key properties of 5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136902395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).