4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine

C15H21N5 — CID 80852291

IUPAC4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(N(C)Cc2cccc(C)n2)n1
InChIInChI=1S/C15H21N5/c1-4-9-16-15-17-10-8-14(19-15)20(3)11-13-7-5-6-12(2)18-13/h5-8,10H,4,9,11H2,1-3H3,(H,16,17,19)
InChIKeyUHNBBAJKLQYMKE-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.64
Rot. Bonds6

About 4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine

4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80852291) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80852291
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(N(C)Cc2cccc(C)n2)n1
InChIInChI=1S/C15H21N5/c1-4-9-16-15-17-10-8-14(19-15)20(3)11-13-7-5-6-12(2)18-13/h5-8,10H,4,9,11H2,1-3H3,(H,16,17,19)
InChIKeyUHNBBAJKLQYMKE-UHFFFAOYSA-N
XLogP2.64
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 91315235
4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80788617
4-N-[(2-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794160
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794598
4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80778639
4-N-(2-methoxypropyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 112754759
2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811999
4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80817609
N-methyl-5-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazin-2-amine
CID 107380595
4-N-benzyl-4-N-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890797
2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine
CID 91018803
6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 115417200

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine (CID 80852291) is 4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(N(C)Cc2cccc(C)n2)n1.
What is the InChIKey of 4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is UHNBBAJKLQYMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-9-16-15-17-10-8-14(19-15)20(3)11-13-7-5-6-12(2)18-13/h5-8,10H,4,9,11H2,1-3H3,(H,16,17,19).
What are the key properties of 4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80852291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).