4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine

C17H29N7 — CID 117088798

IUPAC4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccnn2C)nc1NCCN(C(C)C)C(C)C
InChIInChI=1S/C17H29N7/c1-12(2)24(13(3)4)10-9-18-16-14(5)11-19-17(22-16)21-15-7-8-20-23(15)6/h7-8,11-13H,9-10H2,1-6H3,(H2,18,19,21,22)
InChIKeyIVDAPIJLJYIDKN-UHFFFAOYSA-N
MW331.47 g/mol
LogP2.79
Rot. Bonds8

About 4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine

4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 117088798) has the molecular formula C17H29N7 and a molecular weight of 331.47 g/mol. Its IUPAC name is 4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID117088798
Molecular FormulaC17H29N7
Molecular Weight331.47 g/mol
Exact Mass331.25
IUPAC Name4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccnn2C)nc1NCCN(C(C)C)C(C)C
InChIInChI=1S/C17H29N7/c1-12(2)24(13(3)4)10-9-18-16-14(5)11-19-17(22-16)21-15-7-8-20-23(15)6/h7-8,11-13H,9-10H2,1-6H3,(H2,18,19,21,22)
InChIKeyIVDAPIJLJYIDKN-UHFFFAOYSA-N
XLogP2.79
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine (CID 117088798) is 4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine is Cc1cnc(Nc2ccnn2C)nc1NCCN(C(C)C)C(C)C.
What is the InChIKey of 4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is IVDAPIJLJYIDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7/c1-12(2)24(13(3)4)10-9-18-16-14(5)11-19-17(22-16)21-15-7-8-20-23(15)6/h7-8,11-13H,9-10H2,1-6H3,(H2,18,19,21,22).
What are the key properties of 4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 331.47 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 117088798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).