5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine

C14H20N6 — CID 66904637

IUPAC5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cccc(CN(C)c2nc(N)ncc2CCN)n1
InChIInChI=1S/C14H20N6/c1-10-4-3-5-12(18-10)9-20(2)13-11(6-7-15)8-17-14(16)19-13/h3-5,8H,6-7,9,15H2,1-2H3,(H2,16,17,19)
InChIKeyABINDQAJNCJBIA-UHFFFAOYSA-N
MW272.36 g/mol
LogP0.90
Rot. Bonds5

About 5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine

5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine (PubChem CID 66904637) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
PubChem CID66904637
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cccc(CN(C)c2nc(N)ncc2CCN)n1
InChIInChI=1S/C14H20N6/c1-10-4-3-5-12(18-10)9-20(2)13-11(6-7-15)8-17-14(16)19-13/h3-5,8H,6-7,9,15H2,1-2H3,(H2,16,17,19)
InChIKeyABINDQAJNCJBIA-UHFFFAOYSA-N
XLogP0.90
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine (CID 66904637) is 5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine is Cc1cccc(CN(C)c2nc(N)ncc2CCN)n1.
What is the InChIKey of 5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ABINDQAJNCJBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-10-4-3-5-12(18-10)9-20(2)13-11(6-7-15)8-17-14(16)19-13/h3-5,8H,6-7,9,15H2,1-2H3,(H2,16,17,19).
What are the key properties of 5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 272.36 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 66904637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).