6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine

C21H26FN7 — CID 92627903

IUPAC6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine
SMILESCCn1cc(-c2cc(NC[C@@H](c3ccc(F)cc3)N3CCCC3)nc(N)n2)cn1
InChIInChI=1S/C21H26FN7/c1-2-29-14-16(12-25-29)18-11-20(27-21(23)26-18)24-13-19(28-9-3-4-10-28)15-5-7-17(22)8-6-15/h5-8,11-12,14,19H,2-4,9-10,13H2,1H3,(H3,23,24,26,27)/t19-/m0/s1
InChIKeyASAHZCFEYDPLJQ-IBGZPJMESA-N
MW395.49 g/mol
LogP3.33
Rot. Bonds7

About 6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine

6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine (PubChem CID 92627903) has the molecular formula C21H26FN7 and a molecular weight of 395.49 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine
PubChem CID92627903
Molecular FormulaC21H26FN7
Molecular Weight395.49 g/mol
Exact Mass395.22
IUPAC Name6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine
SMILESCCn1cc(-c2cc(NC[C@@H](c3ccc(F)cc3)N3CCCC3)nc(N)n2)cn1
InChIInChI=1S/C21H26FN7/c1-2-29-14-16(12-25-29)18-11-20(27-21(23)26-18)24-13-19(28-9-3-4-10-28)15-5-7-17(22)8-6-15/h5-8,11-12,14,19H,2-4,9-10,13H2,1H3,(H3,23,24,26,27)/t19-/m0/s1
InChIKeyASAHZCFEYDPLJQ-IBGZPJMESA-N
XLogP3.33
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine
CID 72913524
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine
CID 92612455
5-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 167972006
2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 22692501
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine
CID 110452430
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97203299
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine
CID 80819636
2-(1-ethylpyrazol-4-yl)-4-fluoropyridine
CID 102824444
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 96577978
5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 45190731
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 96577979

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine (CID 92627903) is 6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine is CCn1cc(-c2cc(NC[C@@H](c3ccc(F)cc3)N3CCCC3)nc(N)n2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine?
The InChIKey is ASAHZCFEYDPLJQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26FN7/c1-2-29-14-16(12-25-29)18-11-20(27-21(23)26-18)24-13-19(28-9-3-4-10-28)15-5-7-17(22)8-6-15/h5-8,11-12,14,19H,2-4,9-10,13H2,1H3,(H3,23,24,26,27)/t19-/m0/s1.
What are the key properties of 6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine?
6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine has a molecular weight of 395.49 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 92627903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).