N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine

C14H19N5O — CID 102536227

IUPACN-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine
SMILESCNc1ncc(CNCCCOc2ccccn2)cn1
InChIInChI=1S/C14H19N5O/c1-15-14-18-10-12(11-19-14)9-16-6-4-8-20-13-5-2-3-7-17-13/h2-3,5,7,10-11,16H,4,6,8-9H2,1H3,(H,15,18,19)
InChIKeyUZOBANWCHSCJNV-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.47
Rot. Bonds8

About N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine

N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine (PubChem CID 102536227) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine
PubChem CID102536227
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine
SMILESCNc1ncc(CNCCCOc2ccccn2)cn1
InChIInChI=1S/C14H19N5O/c1-15-14-18-10-12(11-19-14)9-16-6-4-8-20-13-5-2-3-7-17-13/h2-3,5,7,10-11,16H,4,6,8-9H2,1H3,(H,15,18,19)
InChIKeyUZOBANWCHSCJNV-UHFFFAOYSA-N
XLogP1.47
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.47
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

N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 102536033
N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 51051733
3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 66526320
N-(2-pyridin-2-yloxyethyl)butan-1-amine
CID 119027538
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526310
N-(2-pyridin-2-yloxyethyl)propan-1-amine
CID 62348524
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine
CID 102536210
N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132893630
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 51370500
N-[(5-chloro-2-methoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526415
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132892888
N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine
CID 114783211

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine?
The IUPAC name of N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine (CID 102536227) is N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine is CNc1ncc(CNCCCOc2ccccn2)cn1.
What is the InChIKey of N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine?
The InChIKey is UZOBANWCHSCJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-15-14-18-10-12(11-19-14)9-16-6-4-8-20-13-5-2-3-7-17-13/h2-3,5,7,10-11,16H,4,6,8-9H2,1H3,(H,15,18,19).
What are the key properties of N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine?
N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine is sourced from PubChem (CID 102536227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).