4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine

C15H26N4 — CID 114542196

IUPAC4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NC2CCC(C)(C)C2)n1
InChIInChI=1S/C15H26N4/c1-5-8-16-14-17-11(2)9-13(19-14)18-12-6-7-15(3,4)10-12/h9,12H,5-8,10H2,1-4H3,(H2,16,17,18,19)
InChIKeyNDERTGINNIEOSM-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.60
Rot. Bonds5

About 4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 114542196) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID114542196
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NC2CCC(C)(C)C2)n1
InChIInChI=1S/C15H26N4/c1-5-8-16-14-17-11(2)9-13(19-14)18-12-6-7-15(3,4)10-12/h9,12H,5-8,10H2,1-4H3,(H2,16,17,18,19)
InChIKeyNDERTGINNIEOSM-UHFFFAOYSA-N
XLogP3.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine (CID 114542196) is 4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NC2CCC(C)(C)C2)n1.
What is the InChIKey of 4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is NDERTGINNIEOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-8-16-14-17-11(2)9-13(19-14)18-12-6-7-15(3,4)10-12/h9,12H,5-8,10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 114542196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).