6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide

C18H22FN7O2 — CID 123338256

IUPAC6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESNC[C@@H](C=O)Nc1cc(C(N)=O)nc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN7O2/c19-12-1-3-14(4-2-12)25-5-7-26(8-6-25)18-23-15(17(21)28)9-16(24-18)22-13(10-20)11-27/h1-4,9,11,13H,5-8,10,20H2,(H2,21,28)(H,22,23,24)/t13-/m0/s1
InChIKeyRTAUZYHJDVQWFJ-ZDUSSCGKSA-N
MW387.42 g/mol
LogP-0.02
Rot. Bonds7

About 6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide

6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 123338256) has the molecular formula C18H22FN7O2 and a molecular weight of 387.42 g/mol. Its IUPAC name is 6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID123338256
Molecular FormulaC18H22FN7O2
Molecular Weight387.42 g/mol
Exact Mass387.18
IUPAC Name6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESNC[C@@H](C=O)Nc1cc(C(N)=O)nc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN7O2/c19-12-1-3-14(4-2-12)25-5-7-26(8-6-25)18-23-15(17(21)28)9-16(24-18)22-13(10-20)11-27/h1-4,9,11,13H,5-8,10,20H2,(H2,21,28)(H,22,23,24)/t13-/m0/s1
InChIKeyRTAUZYHJDVQWFJ-ZDUSSCGKSA-N
XLogP-0.02
TPSA130.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1-amino-3-oxopropan-2-yl)amino]-2-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 90390203
6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide
CID 89422461
6-[(1-amino-3-oxopropan-2-yl)amino]-2-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide
CID 90390691
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319108
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine
CID 112932687
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
8-[4-(4-fluorophenyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide
CID 58495788
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 56724718
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 43398425
6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide
CID 89422696
1-[4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112955716
4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
CID 28603665

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide (CID 123338256) is 6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide is NC[C@@H](C=O)Nc1cc(C(N)=O)nc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is RTAUZYHJDVQWFJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22FN7O2/c19-12-1-3-14(4-2-12)25-5-7-26(8-6-25)18-23-15(17(21)28)9-16(24-18)22-13(10-20)11-27/h1-4,9,11,13H,5-8,10,20H2,(H2,21,28)(H,22,23,24)/t13-/m0/s1.
What are the key properties of 6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 387.42 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 123338256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).