4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine

C15H24N6 — CID 95147488

IUPAC4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine
SMILESCc1cc(NC[C@H](C)n2nc(C)cc2C)nc(N(C)C)n1
InChIInChI=1S/C15H24N6/c1-10-8-14(18-15(17-10)20(5)6)16-9-13(4)21-12(3)7-11(2)19-21/h7-8,13H,9H2,1-6H3,(H,16,17,18)/t13-/m0/s1
InChIKeyNEDDVGRERRZJMZ-ZDUSSCGKSA-N
MW288.40 g/mol
LogP2.34
Rot. Bonds5

About 4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine

4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine (PubChem CID 95147488) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine
PubChem CID95147488
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine
SMILESCc1cc(NC[C@H](C)n2nc(C)cc2C)nc(N(C)C)n1
InChIInChI=1S/C15H24N6/c1-10-8-14(18-15(17-10)20(5)6)16-9-13(4)21-12(3)7-11(2)19-21/h7-8,13H,9H2,1-6H3,(H,16,17,18)/t13-/m0/s1
InChIKeyNEDDVGRERRZJMZ-ZDUSSCGKSA-N
XLogP2.34
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine (CID 95147488) is 4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine is Cc1cc(NC[C@H](C)n2nc(C)cc2C)nc(N(C)C)n1.
What is the InChIKey of 4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine?
The InChIKey is NEDDVGRERRZJMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N6/c1-10-8-14(18-15(17-10)20(5)6)16-9-13(4)21-12(3)7-11(2)19-21/h7-8,13H,9H2,1-6H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of 4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine?
4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 95147488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).