5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one

C10H14ClN3O2 — CID 136785541

IUPAC5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCOC1CCC(Nc2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C10H14ClN3O2/c1-16-7-3-2-6(4-7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyXBLBGARCQOCOJA-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.40
Rot. Bonds3

About 5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one

5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136785541) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
PubChem CID136785541
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCOC1CCC(Nc2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C10H14ClN3O2/c1-16-7-3-2-6(4-7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyXBLBGARCQOCOJA-UHFFFAOYSA-N
XLogP1.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 114586562
5-chloro-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696627
5-chloro-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696637
4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136785537
5-bromo-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136785538
5-amino-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136785540
5-iodo-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136785543
5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857179
5-chloro-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905791
5-chloro-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136964229
5-chloro-4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974511
5-chloro-4-[(2-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136975248

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one (CID 136785541) is 5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one is COC1CCC(Nc2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is XBLBGARCQOCOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-16-7-3-2-6(4-7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 243.69 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136785541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).