4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C14H19N5 — CID 80787031

IUPAC4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)Cc2ccncc2)ncn1
InChIInChI=1S/C14H19N5/c1-3-6-16-13-9-14(18-11-17-13)19(2)10-12-4-7-15-8-5-12/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,16,17,18)
InChIKeyOJBUNVURMDYJBQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.33
Rot. Bonds6

About 4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80787031) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80787031
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)Cc2ccncc2)ncn1
InChIInChI=1S/C14H19N5/c1-3-6-16-13-9-14(18-11-17-13)19(2)10-12-4-7-15-8-5-12/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,16,17,18)
InChIKeyOJBUNVURMDYJBQ-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-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794398
4-N,6-N-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80809064
4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861804
4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796879
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 80794827
4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine
CID 112859467
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80775376
4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 141132564
6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861272
6-N-tert-butyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861806
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 105420977
2-methyl-3-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80810451

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 80787031) is 4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is CCCNc1cc(N(C)Cc2ccncc2)ncn1.
What is the InChIKey of 4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is OJBUNVURMDYJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-6-16-13-9-14(18-11-17-13)19(2)10-12-4-7-15-8-5-12/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-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-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80787031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).