N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine

C13H16N4 — CID 78845350

IUPACN,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)Cc2cccnc2)n1
InChIInChI=1S/C13H16N4/c1-10-7-11(2)16-13(15-10)17(3)9-12-5-4-6-14-8-12/h4-8H,9H2,1-3H3
InChIKeyPNDNNUXKADDIHH-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.12
Rot. Bonds3

About N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine

N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine (PubChem CID 78845350) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
PubChem CID78845350
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)Cc2cccnc2)n1
InChIInChI=1S/C13H16N4/c1-10-7-11(2)16-13(15-10)17(3)9-12-5-4-6-14-8-12/h4-8H,9H2,1-3H3
InChIKeyPNDNNUXKADDIHH-UHFFFAOYSA-N
XLogP2.12
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 55125410
[4,6-dimethyl-2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61256043
2-hydrazinyl-N,6-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906105
N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
CID 50948120
4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 50959733
5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 83186045
4-hydrazinyl-6-methoxy-N-methyl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 80906839
4-chloro-6-imidazol-1-yl-N-methyl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 62864215
3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102750389
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
CID 174532487
CID 174532487

Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine (CID 78845350) is N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine is Cc1cc(C)nc(N(C)Cc2cccnc2)n1.
What is the InChIKey of N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is PNDNNUXKADDIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-7-11(2)16-13(15-10)17(3)9-12-5-4-6-14-8-12/h4-8H,9H2,1-3H3.
What are the key properties of N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 228.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 78845350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).