4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine

C19H23FN6 — CID 151580761

IUPAC4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine
SMILESCC1=CC(N)(c2cc(C3CC3)[nH]n2)N/C(=N/[C@@H](C)c2ccc(F)cc2)N1
InChIInChI=1S/C19H23FN6/c1-11-10-19(21,17-9-16(25-26-17)14-3-4-14)24-18(22-11)23-12(2)13-5-7-15(20)8-6-13/h5-10,12,14H,3-4,21H2,1-2H3,(H,25,26)(H2,22,23,24)/t12-,19?/m0/s1
InChIKeyQGKWPMLEPULOBT-HSLMYDHPSA-N
MW354.43 g/mol
LogP2.75
Rot. Bonds4

About 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine

4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine (PubChem CID 151580761) has the molecular formula C19H23FN6 and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine.

Molecular Properties

Compound Name4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine
PubChem CID151580761
Molecular FormulaC19H23FN6
Molecular Weight354.43 g/mol
Exact Mass354.20
IUPAC Name4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine
SMILESCC1=CC(N)(c2cc(C3CC3)[nH]n2)N/C(=N/[C@@H](C)c2ccc(F)cc2)N1
InChIInChI=1S/C19H23FN6/c1-11-10-19(21,17-9-16(25-26-17)14-3-4-14)24-18(22-11)23-12(2)13-5-7-15(20)8-6-13/h5-10,12,14H,3-4,21H2,1-2H3,(H,25,26)(H2,22,23,24)/t12-,19?/m0/s1
InChIKeyQGKWPMLEPULOBT-HSLMYDHPSA-N
XLogP2.75
TPSA91.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 125515802
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CID 67572539
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CID 68900994
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CID 68901132
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CID 89139483
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CID 90930088
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CID 91112903
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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine?
The IUPAC name of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine (CID 151580761) is 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine.
What is the SMILES notation for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine?
The canonical SMILES for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine is CC1=CC(N)(c2cc(C3CC3)[nH]n2)N/C(=N/[C@@H](C)c2ccc(F)cc2)N1.
What is the InChIKey of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine?
The InChIKey is QGKWPMLEPULOBT-HSLMYDHPSA-N. The full InChI is InChI=1S/C19H23FN6/c1-11-10-19(21,17-9-16(25-26-17)14-3-4-14)24-18(22-11)23-12(2)13-5-7-15(20)8-6-13/h5-10,12,14H,3-4,21H2,1-2H3,(H,25,26)(H2,22,23,24)/t12-,19?/m0/s1.
What are the key properties of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine?
4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine has a molecular weight of 354.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-6-methyl-1,3-dihydropyrimidin-4-amine is sourced from PubChem (CID 151580761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).