N-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine

C18H20N6 — CID 167854609

IUPACN-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2ccc(N)nc2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H20N6/c1-3-15-10-17(23-18(22-15)14-6-8-20-9-7-14)24(2)12-13-4-5-16(19)21-11-13/h4-11H,3,12H2,1-2H3,(H2,19,21)
InChIKeyMZEZWABPVJMUAI-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.71
Rot. Bonds5

About N-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine

N-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 167854609) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID167854609
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC NameN-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2ccc(N)nc2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H20N6/c1-3-15-10-17(23-18(22-15)14-6-8-20-9-7-14)24(2)12-13-4-5-16(19)21-11-13/h4-11H,3,12H2,1-2H3,(H2,19,21)
InChIKeyMZEZWABPVJMUAI-UHFFFAOYSA-N
XLogP2.71
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine (CID 167854609) is N-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine is CCc1cc(N(C)Cc2ccc(N)nc2)nc(-c2ccncc2)n1.
What is the InChIKey of N-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is MZEZWABPVJMUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-3-15-10-17(23-18(22-15)14-6-8-20-9-7-14)24(2)12-13-4-5-16(19)21-11-13/h4-11H,3,12H2,1-2H3,(H2,19,21).
What are the key properties of N-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine?
N-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 320.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-3-pyridinyl)methyl]-6-ethyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 167854609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).