6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine

C17H18FN7 — CID 69150068

IUPAC6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine
SMILESNc1nc(NCc2ccc(F)cc2)nc(-c2cc(C3CC3)[nH]n2)c1N
InChIInChI=1S/C17H18FN7/c18-11-5-1-9(2-6-11)8-21-17-22-15(14(19)16(20)23-17)13-7-12(24-25-13)10-3-4-10/h1-2,5-7,10H,3-4,8,19H2,(H,24,25)(H3,20,21,22,23)
InChIKeyBXNNBCMLFDUNJF-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.66
Rot. Bonds5

About 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine

6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine (PubChem CID 69150068) has the molecular formula C17H18FN7 and a molecular weight of 339.38 g/mol. Its IUPAC name is 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine
PubChem CID69150068
Molecular FormulaC17H18FN7
Molecular Weight339.38 g/mol
Exact Mass339.16
IUPAC Name6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine
SMILESNc1nc(NCc2ccc(F)cc2)nc(-c2cc(C3CC3)[nH]n2)c1N
InChIInChI=1S/C17H18FN7/c18-11-5-1-9(2-6-11)8-21-17-22-15(14(19)16(20)23-17)13-7-12(24-25-13)10-3-4-10/h1-2,5-7,10H,3-4,8,19H2,(H,24,25)(H3,20,21,22,23)
InChIKeyBXNNBCMLFDUNJF-UHFFFAOYSA-N
XLogP2.66
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine?
The IUPAC name of 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine (CID 69150068) is 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine?
The canonical SMILES for 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine is Nc1nc(NCc2ccc(F)cc2)nc(-c2cc(C3CC3)[nH]n2)c1N.
What is the InChIKey of 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine?
The InChIKey is BXNNBCMLFDUNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7/c18-11-5-1-9(2-6-11)8-21-17-22-15(14(19)16(20)23-17)13-7-12(24-25-13)10-3-4-10/h1-2,5-7,10H,3-4,8,19H2,(H,24,25)(H3,20,21,22,23).
What are the key properties of 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine?
6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine has a molecular weight of 339.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine is sourced from PubChem (CID 69150068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).