4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C12H20N4OS — CID 114118397

IUPAC4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CCC(OC)C2)nc(SC)n1
InChIInChI=1S/C12H20N4OS/c1-13-10-7-11(16-12(15-10)18-3)14-8-4-5-9(6-8)17-2/h7-9H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyPWMSAIMTRSKTIQ-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.22
Rot. Bonds5

About 4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 114118397) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID114118397
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CCC(OC)C2)nc(SC)n1
InChIInChI=1S/C12H20N4OS/c1-13-10-7-11(16-12(15-10)18-3)14-8-4-5-9(6-8)17-2/h7-9H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyPWMSAIMTRSKTIQ-UHFFFAOYSA-N
XLogP2.22
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 114118397) is 4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(NC2CCC(OC)C2)nc(SC)n1.
What is the InChIKey of 4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is PWMSAIMTRSKTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-13-10-7-11(16-12(15-10)18-3)14-8-4-5-9(6-8)17-2/h7-9H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 268.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 114118397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).