N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine

C15H20N4 — CID 91837702

IUPACN-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine
SMILESCC(c1ccncn1)N(C)CCCc1cccnc1
InChIInChI=1S/C15H20N4/c1-13(15-7-9-17-12-18-15)19(2)10-4-6-14-5-3-8-16-11-14/h3,5,7-9,11-13H,4,6,10H2,1-2H3
InChIKeyZKQZCICSADFRQP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.50
Rot. Bonds6

About N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine

N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine (PubChem CID 91837702) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine
PubChem CID91837702
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine
SMILESCC(c1ccncn1)N(C)CCCc1cccnc1
InChIInChI=1S/C15H20N4/c1-13(15-7-9-17-12-18-15)19(2)10-4-6-14-5-3-8-16-11-14/h3,5,7-9,11-13H,4,6,10H2,1-2H3
InChIKeyZKQZCICSADFRQP-UHFFFAOYSA-N
XLogP2.50
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986235
N,N-diethyl-3-pyridin-3-ylpropan-1-amine
CID 121009449
2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 112708855
N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 91830976
3-(5-methylhexyl)pyridine
CID 54316004
2-[methyl(2-pyridin-3-ylethyl)amino]propanenitrile
CID 63264562
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
3-(14-methylpentadecyl)pyridine
CID 19697272
(1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine
CID 124753171
3-(4-bromoheptyl)pyridine
CID 104737066
(2-pyridin-3-yl-1-pyrimidin-4-ylethyl)hydrazine
CID 105221030
(E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine
CID 99950845

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine?
The IUPAC name of N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine (CID 91837702) is N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine?
The canonical SMILES for N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine is CC(c1ccncn1)N(C)CCCc1cccnc1.
What is the InChIKey of N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine?
The InChIKey is ZKQZCICSADFRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-13(15-7-9-17-12-18-15)19(2)10-4-6-14-5-3-8-16-11-14/h3,5,7-9,11-13H,4,6,10H2,1-2H3.
What are the key properties of N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine?
N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 91837702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).