4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine

C14H22N6 — CID 95120403

IUPAC4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine
SMILESCC[C@@H](Nc1ncc(C)c(N(C)C)n1)c1ccnn1C
InChIInChI=1S/C14H22N6/c1-6-11(12-7-8-16-20(12)5)17-14-15-9-10(2)13(18-14)19(3)4/h7-9,11H,6H2,1-5H3,(H,15,17,18)/t11-/m1/s1
InChIKeyNRBQHFZEBGIMNJ-LLVKDONJSA-N
MW274.37 g/mol
LogP2.15
Rot. Bonds5

About 4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine

4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine (PubChem CID 95120403) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine
PubChem CID95120403
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine
SMILESCC[C@@H](Nc1ncc(C)c(N(C)C)n1)c1ccnn1C
InChIInChI=1S/C14H22N6/c1-6-11(12-7-8-16-20(12)5)17-14-15-9-10(2)13(18-14)19(3)4/h7-9,11H,6H2,1-5H3,(H,15,17,18)/t11-/m1/s1
InChIKeyNRBQHFZEBGIMNJ-LLVKDONJSA-N
XLogP2.15
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine (CID 95120403) is 4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine is CC[C@@H](Nc1ncc(C)c(N(C)C)n1)c1ccnn1C.
What is the InChIKey of 4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine?
The InChIKey is NRBQHFZEBGIMNJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N6/c1-6-11(12-7-8-16-20(12)5)17-14-15-9-10(2)13(18-14)19(3)4/h7-9,11H,6H2,1-5H3,(H,15,17,18)/t11-/m1/s1.
What are the key properties of 4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine?
4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 95120403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).