6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine

C19H21FN6 — CID 68900994

IUPAC6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1c(N)nc(N[C@@H](C)c2ccc(F)cc2)nc1-c1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H21FN6/c1-10-17(16-9-15(25-26-16)13-3-4-13)23-19(24-18(10)21)22-11(2)12-5-7-14(20)8-6-12/h5-9,11,13H,3-4H2,1-2H3,(H,25,26)(H3,21,22,23,24)/t11-/m0/s1
InChIKeyOXFUFNBTNJHLET-NSHDSACASA-N
MW352.42 g/mol
LogP3.95
Rot. Bonds5

About 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine

6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 68900994) has the molecular formula C19H21FN6 and a molecular weight of 352.42 g/mol. Its IUPAC name is 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
PubChem CID68900994
Molecular FormulaC19H21FN6
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC Name6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1c(N)nc(N[C@@H](C)c2ccc(F)cc2)nc1-c1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H21FN6/c1-10-17(16-9-15(25-26-16)13-3-4-13)23-19(24-18(10)21)22-11(2)12-5-7-14(20)8-6-12/h5-9,11,13H,3-4H2,1-2H3,(H,25,26)(H3,21,22,23,24)/t11-/m0/s1
InChIKeyOXFUFNBTNJHLET-NSHDSACASA-N
XLogP3.95
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine (CID 68900994) is 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine is Cc1c(N)nc(N[C@@H](C)c2ccc(F)cc2)nc1-c1cc(C2CC2)[nH]n1.
What is the InChIKey of 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is OXFUFNBTNJHLET-NSHDSACASA-N. The full InChI is InChI=1S/C19H21FN6/c1-10-17(16-9-15(25-26-16)13-3-4-13)23-19(24-18(10)21)22-11(2)12-5-7-14(20)8-6-12/h5-9,11,13H,3-4H2,1-2H3,(H,25,26)(H3,21,22,23,24)/t11-/m0/s1.
What are the key properties of 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
6-(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 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 68900994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).