2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine

C15H24N6 — CID 50965651

IUPAC2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N(C)CCCc2nccn2C)nc1N(C)C
InChIInChI=1S/C15H24N6/c1-12-11-17-15(18-14(12)19(2)3)21(5)9-6-7-13-16-8-10-20(13)4/h8,10-11H,6-7,9H2,1-5H3
InChIKeyPJHXPWROPOXWTN-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.65
Rot. Bonds6

About 2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine

2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine (PubChem CID 50965651) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine
PubChem CID50965651
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N(C)CCCc2nccn2C)nc1N(C)C
InChIInChI=1S/C15H24N6/c1-12-11-17-15(18-14(12)19(2)3)21(5)9-6-7-13-16-8-10-20(13)4/h8,10-11H,6-7,9H2,1-5H3
InChIKeyPJHXPWROPOXWTN-UHFFFAOYSA-N
XLogP1.65
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine (CID 50965651) is 2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine is Cc1cnc(N(C)CCCc2nccn2C)nc1N(C)C.
What is the InChIKey of 2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine?
The InChIKey is PJHXPWROPOXWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-12-11-17-15(18-14(12)19(2)3)21(5)9-6-7-13-16-8-10-20(13)4/h8,10-11H,6-7,9H2,1-5H3.
What are the key properties of 2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine?
2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine has a molecular weight of 288.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N,5-tetramethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50965651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).