N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine

C14H17N5 — CID 112855662

IUPACN-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESc1ccc(CNc2cc(N3CCCC3)ncn2)nc1
InChIInChI=1S/C14H17N5/c1-2-6-15-12(5-1)10-16-13-9-14(18-11-17-13)19-7-3-4-8-19/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,16,17,18)
InChIKeyYOTWMJJSQZIJHE-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.08
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine

N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112855662) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112855662
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC NameN-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESc1ccc(CNc2cc(N3CCCC3)ncn2)nc1
InChIInChI=1S/C14H17N5/c1-2-6-15-12(5-1)10-16-13-9-14(18-11-17-13)19-7-3-4-8-19/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,16,17,18)
InChIKeyYOTWMJJSQZIJHE-UHFFFAOYSA-N
XLogP2.08
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860589
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112860583
6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112881321
N-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 167788319
6-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 53015129
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 167810447
6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 106972572
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine
CID 112942024
N-(1,3-benzodioxol-5-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860355
6-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112873258

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 112855662) is N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine is c1ccc(CNc2cc(N3CCCC3)ncn2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is YOTWMJJSQZIJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-6-15-12(5-1)10-16-13-9-14(18-11-17-13)19-7-3-4-8-19/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,16,17,18).
What are the key properties of N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 255.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112855662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).