6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine

C12H13N5O — CID 162658779

IUPAC6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine
SMILESCOc1cc(N/N=C(\C)c2ccccn2)ncn1
InChIInChI=1S/C12H13N5O/c1-9(10-5-3-4-6-13-10)16-17-11-7-12(18-2)15-8-14-11/h3-8H,1-2H3,(H,14,15,17)/b16-9+
InChIKeyPDPDTDKZONPCIP-CXUHLZMHSA-N
MW243.27 g/mol
LogP1.72
Rot. Bonds4

About 6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine

6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine (PubChem CID 162658779) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine
PubChem CID162658779
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine
SMILESCOc1cc(N/N=C(\C)c2ccccn2)ncn1
InChIInChI=1S/C12H13N5O/c1-9(10-5-3-4-6-13-10)16-17-11-7-12(18-2)15-8-14-11/h3-8H,1-2H3,(H,14,15,17)/b16-9+
InChIKeyPDPDTDKZONPCIP-CXUHLZMHSA-N
XLogP1.72
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(Dimethylamino)benzaldehyde (6-methoxy-4-pyrimidinyl)hydrazone
CID 5338835
Phenyl(4-pyridinyl)methanone (4,6-dimethoxy-2-pyrimidinyl)hydrazone
CID 6383510
N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine
CID 51050005
6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine
CID 162657292
6-(4-Methoxy-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3-amine
CID 25184907
N~2~-(6-methoxypyrimidin-4-yl)-N~1~,N~1~-dimethyl-1-pyridin-2-ylethane-1,2-diamine
CID 50966824
6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 50971539
6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50959398
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
CID 50971979
4-Methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 56810279
6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 86797677
6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine
CID 86797824

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine (CID 162658779) is 6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine is COc1cc(N/N=C(\C)c2ccccn2)ncn1.
What is the InChIKey of 6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine?
The InChIKey is PDPDTDKZONPCIP-CXUHLZMHSA-N. The full InChI is InChI=1S/C12H13N5O/c1-9(10-5-3-4-6-13-10)16-17-11-7-12(18-2)15-8-14-11/h3-8H,1-2H3,(H,14,15,17)/b16-9+.
What are the key properties of 6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine?
6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine has a molecular weight of 243.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine is sourced from PubChem (CID 162658779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).