4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C14H19N5 — CID 112882829

IUPAC4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCCNc1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C14H19N5/c1-2-3-7-16-13-6-10-17-14(19-13)18-11-12-4-8-15-9-5-12/h4-6,8-10H,2-3,7,11H2,1H3,(H2,16,17,18,19)
InChIKeyYYGCVRAJQOAUMM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.70
Rot. Bonds7

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

4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112882829) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112882829
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCCNc1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C14H19N5/c1-2-3-7-16-13-6-10-17-14(19-13)18-11-12-4-8-15-9-5-12/h4-6,8-10H,2-3,7,11H2,1H3,(H2,16,17,18,19)
InChIKeyYYGCVRAJQOAUMM-UHFFFAOYSA-N
XLogP2.70
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112882820
4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112887601
4-N-benzyl-2-N-butylpyrimidine-2,4-diamine
CID 112883005
2-N-butyl-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112883014
2-N-butyl-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112883016
5-N-butyl-3-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112939909
4-N-[(4-chlorophenyl)methyl]-2-N-pentylpyrimidine-2,4-diamine
CID 112891913
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893825
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893824
4-N-butyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112882836

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 112882829) is 4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is CCCCNc1ccnc(NCc2ccncc2)n1.
What is the InChIKey of 4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is YYGCVRAJQOAUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-3-7-16-13-6-10-17-14(19-13)18-11-12-4-8-15-9-5-12/h4-6,8-10H,2-3,7,11H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112882829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).