N-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine

C16H22N4O — CID 134568908

IUPACN-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
SMILESCCCCNc1ncncc1OCCCc1ccncc1
InChIInChI=1S/C16H22N4O/c1-2-3-8-19-16-15(12-18-13-20-16)21-11-4-5-14-6-9-17-10-7-14/h6-7,9-10,12-13H,2-5,8,11H2,1H3,(H,18,19,20)
InChIKeyHEHCBMUNJAYKBB-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.10
Rot. Bonds9

About N-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine

N-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine (PubChem CID 134568908) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
PubChem CID134568908
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
SMILESCCCCNc1ncncc1OCCCc1ccncc1
InChIInChI=1S/C16H22N4O/c1-2-3-8-19-16-15(12-18-13-20-16)21-11-4-5-14-6-9-17-10-7-14/h6-7,9-10,12-13H,2-5,8,11H2,1H3,(H,18,19,20)
InChIKeyHEHCBMUNJAYKBB-UHFFFAOYSA-N
XLogP3.10
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine
CID 155745081
N-butyl-5-[(1S)-1-phenylethoxy]pyrimidin-4-amine
CID 134569132
N-butyl-5-iodopyrimidin-4-amine
CID 65418648
N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine
CID 105075104
4-N-butyl-5-[3-(3-ethoxy-4-methylphenyl)propoxy]pyrimidine-2,4-diamine
CID 134569380
N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine
CID 134569096
6-N-butyl-4-N-(4-butylphenyl)pyrimidine-4,5,6-triamine
CID 22539974
N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187
N-(2-chloroethyl)-5-methoxypyrimidin-4-amine
CID 130543427
CID 89037212
CID 89037212
3-pyridin-4-ylpropyl pentanoate
CID 78842155
4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26276087

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine?
The IUPAC name of N-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine (CID 134568908) is N-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine.
What is the SMILES notation for N-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine?
The canonical SMILES for N-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine is CCCCNc1ncncc1OCCCc1ccncc1.
What is the InChIKey of N-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine?
The InChIKey is HEHCBMUNJAYKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-3-8-19-16-15(12-18-13-20-16)21-11-4-5-14-6-9-17-10-7-14/h6-7,9-10,12-13H,2-5,8,11H2,1H3,(H,18,19,20).
What are the key properties of N-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine?
N-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine is sourced from PubChem (CID 134568908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).