6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine

C11H13N5 — CID 115265643

IUPAC6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccncc2)ncn1
InChIInChI=1S/C11H13N5/c1-2-13-10-7-11(15-8-14-10)16-9-3-5-12-6-4-9/h3-8H,2H2,1H3,(H2,12,13,14,15,16)
InChIKeyWGXXHTVXZRKZBP-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.05
Rot. Bonds4

About 6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine (PubChem CID 115265643) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
PubChem CID115265643
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccncc2)ncn1
InChIInChI=1S/C11H13N5/c1-2-13-10-7-11(15-8-14-10)16-9-3-5-12-6-4-9/h3-8H,2H2,1H3,(H2,12,13,14,15,16)
InChIKeyWGXXHTVXZRKZBP-UHFFFAOYSA-N
XLogP2.05
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264796
4-N-(3-ethylsulfonylphenyl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 159359296
4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115263744
4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80847426
6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
CID 80832323
N-[4-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860976
4-N,6-N-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80809064
5-[[6-(ethylamino)pyrimidin-4-yl]amino]isoindole-1,3-dione
CID 80757984
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702297
ethane;N-ethylpyrimidin-4-amine
CID 167491074
4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-N-ethylpyrimidine-4,6-diamine
CID 80769198
[6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol
CID 129090569

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine (CID 115265643) is 6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine is CCNc1cc(Nc2ccncc2)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine?
The InChIKey is WGXXHTVXZRKZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-13-10-7-11(15-8-14-10)16-9-3-5-12-6-4-9/h3-8H,2H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine has a molecular weight of 215.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).