(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C14H16N6O — CID 104740881

IUPAC(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESNc1cccnc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16N6O/c15-11-3-1-4-16-12(11)13(21)19-7-9-20(10-8-19)14-17-5-2-6-18-14/h1-6H,7-10,15H2
InChIKeyZVIQVOFHKMWYDB-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.42
Rot. Bonds2

About (3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 104740881) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is (3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID104740881
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESNc1cccnc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16N6O/c15-11-3-1-4-16-12(11)13(21)19-7-9-20(10-8-19)14-17-5-2-6-18-14/h1-6H,7-10,15H2
InChIKeyZVIQVOFHKMWYDB-UHFFFAOYSA-N
XLogP0.42
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone 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

(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 107517750
(3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 104740876
(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 104742252
(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 104742169
(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 104742473
2-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 104741733
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
[4-(3-aminopyridine-2-carbonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 136556893
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837
(3-amino-2-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 104741429

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 104740881) is (3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Nc1cccnc1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZVIQVOFHKMWYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c15-11-3-1-4-16-12(11)13(21)19-7-9-20(10-8-19)14-17-5-2-6-18-14/h1-6H,7-10,15H2.
What are the key properties of (3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 284.32 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 104740881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).