6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C14H18N4O — CID 82453638

IUPAC6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NCc2cccnc2)ncn1
InChIInChI=1S/C14H18N4O/c1-2-3-7-19-14-8-13(17-11-18-14)16-10-12-5-4-6-15-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,16,17,18)
InChIKeySESBDTXLKBXDLB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.66
Rot. Bonds7

About 6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 82453638) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID82453638
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NCc2cccnc2)ncn1
InChIInChI=1S/C14H18N4O/c1-2-3-7-19-14-8-13(17-11-18-14)16-10-12-5-4-6-15-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,16,17,18)
InChIKeySESBDTXLKBXDLB-UHFFFAOYSA-N
XLogP2.66
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.66
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

6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860749
4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860806
N-[[3-(chloromethyl)phenyl]methyl]-6-propoxypyrimidin-4-amine
CID 66332407
6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 118029133
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735
4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol
CID 114332543
N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine
CID 66329796
6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66327754
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
4-N-ethyl-4-N-phenyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860780
4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112859559

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 82453638) is 6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is CCCCOc1cc(NCc2cccnc2)ncn1.
What is the InChIKey of 6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is SESBDTXLKBXDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-3-7-19-14-8-13(17-11-18-14)16-10-12-5-4-6-15-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,16,17,18).
What are the key properties of 6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 82453638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).