4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C14H19N5 — CID 80788617

IUPAC4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nccc(N(C)Cc2ccccn2)n1
InChIInChI=1S/C14H19N5/c1-3-8-16-14-17-10-7-13(18-14)19(2)11-12-6-4-5-9-15-12/h4-7,9-10H,3,8,11H2,1-2H3,(H,16,17,18)
InChIKeyVMJIYSZOINBETA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.33
Rot. Bonds6

About 4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80788617) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80788617
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nccc(N(C)Cc2ccccn2)n1
InChIInChI=1S/C14H19N5/c1-3-8-16-14-17-10-7-13(18-14)19(2)11-12-6-4-5-9-15-12/h4-7,9-10H,3,8,11H2,1-2H3,(H,16,17,18)
InChIKeyVMJIYSZOINBETA-UHFFFAOYSA-N
XLogP2.33
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80852291
4-N-[(2-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794160
4-N-benzyl-4-N-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890797
4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80778639
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794598
6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80786890
2-N-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 91315235
4-N,5-dimethyl-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80750116
4-N-(2-methoxypropyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 112754759
2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 133442644
2-N,6-N-dimethyl-2-N,6-N-bis(pyridin-2-ylmethyl)pyrazine-2,6-diamine
CID 100671089
2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811999

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 80788617) is 4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is CCCNc1nccc(N(C)Cc2ccccn2)n1.
What is the InChIKey of 4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is VMJIYSZOINBETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-8-16-14-17-10-7-13(18-14)19(2)11-12-6-4-5-9-15-12/h4-7,9-10H,3,8,11H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80788617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).