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

C19H21FN6 — CID 24949403

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N[C@@H](C)c2ccc(F)cc2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H21FN6/c1-11-10-21-19(22-12(2)13-5-7-15(20)8-6-13)24-18(11)23-17-9-16(25-26-17)14-3-4-14/h5-10,12,14H,3-4H2,1-2H3,(H3,21,22,23,24,25,26)/t12-/m0/s1
InChIKeyDBZVTBOJQKIYAI-LBPRGKRZSA-N
MW352.42 g/mol
LogP4.44
Rot. Bonds6

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

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 24949403) has the molecular formula C19H21FN6 and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
PubChem CID24949403
Molecular FormulaC19H21FN6
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N[C@@H](C)c2ccc(F)cc2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H21FN6/c1-11-10-21-19(22-12(2)13-5-7-15(20)8-6-13)24-18(11)23-17-9-16(25-26-17)14-3-4-14/h5-10,12,14H,3-4H2,1-2H3,(H3,21,22,23,24,25,26)/t12-/m0/s1
InChIKeyDBZVTBOJQKIYAI-LBPRGKRZSA-N
XLogP4.44
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.44
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]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine (CID 24949403) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine is Cc1cnc(N[C@@H](C)c2ccc(F)cc2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is DBZVTBOJQKIYAI-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21FN6/c1-11-10-21-19(22-12(2)13-5-7-15(20)8-6-13)24-18(11)23-17-9-16(25-26-17)14-3-4-14/h5-10,12,14H,3-4H2,1-2H3,(H3,21,22,23,24,25,26)/t12-/m0/s1.
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 352.42 g/mol, XLogP of 4.44, 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]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 24949403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).