4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one

C10H15N3O2 — CID 136773806

IUPAC4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(N)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C10H15N3O2/c1-15-10(4-2-3-5-10)9-12-7(11)6-8(14)13-9/h6H,2-5H2,1H3,(H3,11,12,13,14)
InChIKeyNVMSZGJNPMPQCP-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.77
Rot. Bonds2

About 4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one

4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (PubChem CID 136773806) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
PubChem CID136773806
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(N)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C10H15N3O2/c1-15-10(4-2-3-5-10)9-12-7(11)6-8(14)13-9/h6H,2-5H2,1H3,(H3,11,12,13,14)
InChIKeyNVMSZGJNPMPQCP-UHFFFAOYSA-N
XLogP0.77
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (CID 136773806) is 4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is COC1(c2nc(N)cc(=O)[nH]2)CCCC1.
What is the InChIKey of 4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is NVMSZGJNPMPQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-15-10(4-2-3-5-10)9-12-7(11)6-8(14)13-9/h6H,2-5H2,1H3,(H3,11,12,13,14).
What are the key properties of 4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136773806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).