5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine

C10H15ClN4O — CID 106812476

IUPAC5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine
SMILESCOC1CCC(Nc2ncnc(N)c2Cl)C1
InChIInChI=1S/C10H15ClN4O/c1-16-7-3-2-6(4-7)15-10-8(11)9(12)13-5-14-10/h5-7H,2-4H2,1H3,(H3,12,13,14,15)
InChIKeyXBGLPEREQOROIA-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.69
Rot. Bonds3

About 5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine

5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine (PubChem CID 106812476) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine
PubChem CID106812476
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine
SMILESCOC1CCC(Nc2ncnc(N)c2Cl)C1
InChIInChI=1S/C10H15ClN4O/c1-16-7-3-2-6(4-7)15-10-8(11)9(12)13-5-14-10/h5-7H,2-4H2,1H3,(H3,12,13,14,15)
InChIKeyXBGLPEREQOROIA-UHFFFAOYSA-N
XLogP1.69
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine (CID 106812476) is 5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine is COC1CCC(Nc2ncnc(N)c2Cl)C1.
What is the InChIKey of 5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine?
The InChIKey is XBGLPEREQOROIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-16-7-3-2-6(4-7)15-10-8(11)9(12)13-5-14-10/h5-7H,2-4H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine?
5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine has a molecular weight of 242.71 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106812476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).