4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide

C20H20N6O — CID 117082741

IUPAC4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
SMILESNc1nc(NCc2cccnc2)cc(-c2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C20H20N6O/c21-20-25-17(10-18(26-20)23-12-13-2-1-9-22-11-13)14-3-5-15(6-4-14)19(27)24-16-7-8-16/h1-6,9-11,16H,7-8,12H2,(H,24,27)(H3,21,23,25,26)
InChIKeyIJAXMZXWFJBQDK-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.63
Rot. Bonds6

About 4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide

4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide (PubChem CID 117082741) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
PubChem CID117082741
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
SMILESNc1nc(NCc2cccnc2)cc(-c2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C20H20N6O/c21-20-25-17(10-18(26-20)23-12-13-2-1-9-22-11-13)14-3-5-15(6-4-14)19(27)24-16-7-8-16/h1-6,9-11,16H,7-8,12H2,(H,24,27)(H3,21,23,25,26)
InChIKeyIJAXMZXWFJBQDK-UHFFFAOYSA-N
XLogP2.63
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
CID 117083427
N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 70778971
4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide
CID 117079194
N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109113007
4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117086266
N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 1428458
2-N-cyclopentyl-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112934432
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 51085606
N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063200
4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 122571443
methyl 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 58063032
6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 113268079

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide (CID 117082741) is 4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide is Nc1nc(NCc2cccnc2)cc(-c2ccc(C(=O)NC3CC3)cc2)n1.
What is the InChIKey of 4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide?
The InChIKey is IJAXMZXWFJBQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c21-20-25-17(10-18(26-20)23-12-13-2-1-9-22-11-13)14-3-5-15(6-4-14)19(27)24-16-7-8-16/h1-6,9-11,16H,7-8,12H2,(H,24,27)(H3,21,23,25,26).
What are the key properties of 4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide?
4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide has a molecular weight of 360.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 117082741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).