6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C15H15FN10 — CID 123700025

IUPAC6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESC[C@@H](Nc1nc(Nc2cn(C)cn2)c2cn[nH]c2n1)c1ncc(F)cn1
InChIInChI=1S/C15H15FN10/c1-8(12-17-3-9(16)4-18-12)21-15-23-13(10-5-20-25-14(10)24-15)22-11-6-26(2)7-19-11/h3-8H,1-2H3,(H3,20,21,22,23,24,25)/t8-/m1/s1
InChIKeyMLPFLKLPZSACMH-MRVPVSSYSA-N
MW354.35 g/mol
LogP1.93
Rot. Bonds5

About 6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 123700025) has the molecular formula C15H15FN10 and a molecular weight of 354.35 g/mol. Its IUPAC name is 6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID123700025
Molecular FormulaC15H15FN10
Molecular Weight354.35 g/mol
Exact Mass354.15
IUPAC Name6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESC[C@@H](Nc1nc(Nc2cn(C)cn2)c2cn[nH]c2n1)c1ncc(F)cn1
InChIInChI=1S/C15H15FN10/c1-8(12-17-3-9(16)4-18-12)21-15-23-13(10-5-20-25-14(10)24-15)22-11-6-26(2)7-19-11/h3-8H,1-2H3,(H3,20,21,22,23,24,25)/t8-/m1/s1
InChIKeyMLPFLKLPZSACMH-MRVPVSSYSA-N
XLogP1.93
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 123700025) is 6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is C[C@@H](Nc1nc(Nc2cn(C)cn2)c2cn[nH]c2n1)c1ncc(F)cn1.
What is the InChIKey of 6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is MLPFLKLPZSACMH-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H15FN10/c1-8(12-17-3-9(16)4-18-12)21-15-23-13(10-5-20-25-14(10)24-15)22-11-6-26(2)7-19-11/h3-8H,1-2H3,(H3,20,21,22,23,24,25)/t8-/m1/s1.
What are the key properties of 6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 354.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 123700025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).