5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide

C17H18N6O — CID 175077359

IUPAC5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide
SMILESCc1cnc(-c2ccc(Nc3cccnc3)nc2)nc1C.NC=O
InChIInChI=1S/C16H15N5.CH3NO/c1-11-8-19-16(20-12(11)2)13-5-6-15(18-9-13)21-14-4-3-7-17-10-14;2-1-3/h3-10H,1-2H3,(H,18,21);1H,(H2,2,3)
InChIKeyXMDPNKVIZIJWOO-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.40
Rot. Bonds3

About 5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide

5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide (PubChem CID 175077359) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide.

Molecular Properties

Compound Name5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide
PubChem CID175077359
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide
SMILESCc1cnc(-c2ccc(Nc3cccnc3)nc2)nc1C.NC=O
InChIInChI=1S/C16H15N5.CH3NO/c1-11-8-19-16(20-12(11)2)13-5-6-15(18-9-13)21-14-4-3-7-17-10-14;2-1-3/h3-10H,1-2H3,(H,18,21);1H,(H2,2,3)
InChIKeyXMDPNKVIZIJWOO-UHFFFAOYSA-N
XLogP2.40
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide?
The IUPAC name of 5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide (CID 175077359) is 5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide.
What is the SMILES notation for 5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide?
The canonical SMILES for 5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide is Cc1cnc(-c2ccc(Nc3cccnc3)nc2)nc1C.NC=O.
What is the InChIKey of 5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide?
The InChIKey is XMDPNKVIZIJWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5.CH3NO/c1-11-8-19-16(20-12(11)2)13-5-6-15(18-9-13)21-14-4-3-7-17-10-14;2-1-3/h3-10H,1-2H3,(H,18,21);1H,(H2,2,3).
What are the key properties of 5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide?
5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide has a molecular weight of 322.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide is sourced from PubChem (CID 175077359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).