5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine

C13H17N5 — CID 83186045

IUPAC5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESCc1nc(N(C)Cc2cccnc2)ncc1CN
InChIInChI=1S/C13H17N5/c1-10-12(6-14)8-16-13(17-10)18(2)9-11-4-3-5-15-7-11/h3-5,7-8H,6,9,14H2,1-2H3
InChIKeyTUNCAMXNXKCFJS-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.28
Rot. Bonds4

About 5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine

5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine (PubChem CID 83186045) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
PubChem CID83186045
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESCc1nc(N(C)Cc2cccnc2)ncc1CN
InChIInChI=1S/C13H17N5/c1-10-12(6-14)8-16-13(17-10)18(2)9-11-4-3-5-15-7-11/h3-5,7-8H,6,9,14H2,1-2H3
InChIKeyTUNCAMXNXKCFJS-UHFFFAOYSA-N
XLogP1.28
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83185731
N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 78845350
4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 50959733
4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine
CID 80507616
2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 107550165
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 55125410
2-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3-thiazole-2,5-diamine
CID 102767637
5-(aminomethyl)-N,4-dimethyl-N-propan-2-ylpyrimidin-2-amine
CID 83185143
N-methyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 107379230
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine
CID 66278201
5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 154785251

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine (CID 83186045) is 5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine is Cc1nc(N(C)Cc2cccnc2)ncc1CN.
What is the InChIKey of 5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is TUNCAMXNXKCFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-10-12(6-14)8-16-13(17-10)18(2)9-11-4-3-5-15-7-11/h3-5,7-8H,6,9,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 83186045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).