6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine

C14H22ClN3S — CID 114123821

IUPAC6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCSC1CCC(Nc2nc(C(C)C)nc(Cl)c2C)C1
InChIInChI=1S/C14H22ClN3S/c1-8(2)13-17-12(15)9(3)14(18-13)16-10-5-6-11(7-10)19-4/h8,10-11H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyKWQZBNMPAKCANK-UHFFFAOYSA-N
MW299.87 g/mol
LogP4.26
Rot. Bonds4

About 6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 114123821) has the molecular formula C14H22ClN3S and a molecular weight of 299.87 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID114123821
Molecular FormulaC14H22ClN3S
Molecular Weight299.87 g/mol
Exact Mass299.12
IUPAC Name6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCSC1CCC(Nc2nc(C(C)C)nc(Cl)c2C)C1
InChIInChI=1S/C14H22ClN3S/c1-8(2)13-17-12(15)9(3)14(18-13)16-10-5-6-11(7-10)19-4/h8,10-11H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyKWQZBNMPAKCANK-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine (CID 114123821) is 6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine is CSC1CCC(Nc2nc(C(C)C)nc(Cl)c2C)C1.
What is the InChIKey of 6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is KWQZBNMPAKCANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3S/c1-8(2)13-17-12(15)9(3)14(18-13)16-10-5-6-11(7-10)19-4/h8,10-11H,5-7H2,1-4H3,(H,16,17,18).
What are the key properties of 6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 299.87 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114123821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).