N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine

C14H17N3 — CID 62757123

IUPACN-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(Cc2cccc(C)c2)nc1
InChIInChI=1S/C14H17N3/c1-11-4-3-5-12(6-11)7-14-16-9-13(8-15-2)10-17-14/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyDVEZFENBHKUKDI-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.10
Rot. Bonds4

About N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine

N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine (PubChem CID 62757123) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine
PubChem CID62757123
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(Cc2cccc(C)c2)nc1
InChIInChI=1S/C14H17N3/c1-11-4-3-5-12(6-11)7-14-16-9-13(8-15-2)10-17-14/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyDVEZFENBHKUKDI-UHFFFAOYSA-N
XLogP2.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62756426
[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757531
N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine
CID 145495304
1-[2-[(3,5-difluorophenyl)methyl]pyrimidin-5-yl]-N-methylmethanamine
CID 62756211
5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66303082
1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine
CID 130373377
1-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741925
N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine
CID 117224131
N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
CID 55077028
5-chloro-2-[(3-methylphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82168607
N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 83886789
N-methyl-1-[(3-methylphenyl)methoxy]methanamine
CID 142182109

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine (CID 62757123) is N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine is CNCc1cnc(Cc2cccc(C)c2)nc1.
What is the InChIKey of N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine?
The InChIKey is DVEZFENBHKUKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-4-3-5-12(6-11)7-14-16-9-13(8-15-2)10-17-14/h3-6,9-10,15H,7-8H2,1-2H3.
What are the key properties of N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine?
N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 62757123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).