N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine

C17H18N6 — CID 166363517

IUPACN-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NCc2cc(N)ccn2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H18N6/c1-2-14-10-16(21-11-15-9-13(18)5-8-20-15)23-17(22-14)12-3-6-19-7-4-12/h3-10H,2,11H2,1H3,(H2,18,20)(H,21,22,23)
InChIKeyNCJMNROQEHFJKF-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.69
Rot. Bonds5

About N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine

N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 166363517) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID166363517
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC NameN-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NCc2cc(N)ccn2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H18N6/c1-2-14-10-16(21-11-15-9-13(18)5-8-20-15)23-17(22-14)12-3-6-19-7-4-12/h3-10H,2,11H2,1H3,(H2,18,20)(H,21,22,23)
InChIKeyNCJMNROQEHFJKF-UHFFFAOYSA-N
XLogP2.69
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133294768
6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133326062
N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133294320
2-ethylpyridin-4-amine
CID 12015366
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133314842
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133411435
N-[3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 56804311
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133385669
6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
CID 133449281
[3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol
CID 133399032
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
(6-ethyl-2-phenylpyrimidin-4-yl)hydrazine
CID 62252566

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine (CID 166363517) is N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine is CCc1cc(NCc2cc(N)ccn2)nc(-c2ccncc2)n1.
What is the InChIKey of N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is NCJMNROQEHFJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-2-14-10-16(21-11-15-9-13(18)5-8-20-15)23-17(22-14)12-3-6-19-7-4-12/h3-10H,2,11H2,1H3,(H2,18,20)(H,21,22,23).
What are the key properties of N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine?
N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 306.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 166363517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).