4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine

C18H19FN6 — CID 24949402

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN6/c1-11(12-4-6-14(19)7-5-12)21-18-20-9-8-16(23-18)22-17-10-15(24-25-17)13-2-3-13/h4-11,13H,2-3H2,1H3,(H3,20,21,22,23,24,25)/t11-/m0/s1
InChIKeyHUUNMUHHQRBGBT-NSHDSACASA-N
MW338.39 g/mol
LogP4.13
Rot. Bonds6

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 24949402) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID24949402
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN6/c1-11(12-4-6-14(19)7-5-12)21-18-20-9-8-16(23-18)22-17-10-15(24-25-17)13-2-3-13/h4-11,13H,2-3H2,1H3,(H3,20,21,22,23,24,25)/t11-/m0/s1
InChIKeyHUUNMUHHQRBGBT-NSHDSACASA-N
XLogP4.13
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine (CID 24949402) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine is C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is HUUNMUHHQRBGBT-NSHDSACASA-N. The full InChI is InChI=1S/C18H19FN6/c1-11(12-4-6-14(19)7-5-12)21-18-20-9-8-16(23-18)22-17-10-15(24-25-17)13-2-3-13/h4-11,13H,2-3H2,1H3,(H3,20,21,22,23,24,25)/t11-/m0/s1.
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 338.39 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 24949402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).