4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine

C14H19N5O — CID 71155558

IUPAC4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1OCc1ccccn1
InChIInChI=1S/C14H19N5O/c1-2-3-7-17-13-12(9-18-14(15)19-13)20-10-11-6-4-5-8-16-11/h4-6,8-9H,2-3,7,10H2,1H3,(H3,15,17,18,19)
InChIKeyTZIPIHOWVRWNRL-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.24
Rot. Bonds7

About 4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine

4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine (PubChem CID 71155558) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine
PubChem CID71155558
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1OCc1ccccn1
InChIInChI=1S/C14H19N5O/c1-2-3-7-17-13-12(9-18-14(15)19-13)20-10-11-6-4-5-8-16-11/h4-6,8-9H,2-3,7,10H2,1H3,(H3,15,17,18,19)
InChIKeyTZIPIHOWVRWNRL-UHFFFAOYSA-N
XLogP2.24
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine
CID 70856461
CID 89037212
CID 89037212
N-butyl-2,3-dichloro-4-(pyridin-2-ylmethoxy)aniline
CID 19814414
4-N-butyl-5-[(5,6-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrimidine-2,4-diamine
CID 134568892
4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine
CID 123251818
4-N-butyl-5-[(2-methyl-2,3-dihydropyridin-6-yl)methoxy]pyrimidine-2,4-diamine
CID 134569361
ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate
CID 70856475
4-N-butyl-5-[3-(3-ethoxy-4-methylphenyl)propoxy]pyrimidine-2,4-diamine
CID 134569380
4-N-butyl-5-(5-cyclohexa-2,4-dien-1-ylpentoxy)pyrimidine-2,4-diamine
CID 134569048
4-N-butyl-5-hexylpyrimidine-2,4-diamine
CID 123602752
4-N-butyl-5-[(4-ethylphenyl)methylsulfanyl]pyrimidine-2,4-diamine
CID 134569001
(3S)-3-[[2-amino-5-(quinolin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;sulfane
CID 157247821

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine (CID 71155558) is 4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine is CCCCNc1nc(N)ncc1OCc1ccccn1.
What is the InChIKey of 4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine?
The InChIKey is TZIPIHOWVRWNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-3-7-17-13-12(9-18-14(15)19-13)20-10-11-6-4-5-8-16-11/h4-6,8-9H,2-3,7,10H2,1H3,(H3,15,17,18,19).
What are the key properties of 4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine?
4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 71155558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).