N-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine

C12H13N9 — CID 118033843

IUPACN-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine
SMILESCCNc1cc(-c2ccnc(Nc3nn[nH]n3)c2)ncn1
InChIInChI=1S/C12H13N9/c1-2-13-10-6-9(15-7-16-10)8-3-4-14-11(5-8)17-12-18-20-21-19-12/h3-7H,2H2,1H3,(H,13,15,16)(H2,14,17,18,19,20,21)
InChIKeyIPZNHLYTWZQBIN-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.23
Rot. Bonds5

About N-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine

N-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine (PubChem CID 118033843) has the molecular formula C12H13N9 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine
PubChem CID118033843
Molecular FormulaC12H13N9
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine
SMILESCCNc1cc(-c2ccnc(Nc3nn[nH]n3)c2)ncn1
InChIInChI=1S/C12H13N9/c1-2-13-10-6-9(15-7-16-10)8-3-4-14-11(5-8)17-12-18-20-21-19-12/h3-7H,2H2,1H3,(H,13,15,16)(H2,14,17,18,19,20,21)
InChIKeyIPZNHLYTWZQBIN-UHFFFAOYSA-N
XLogP1.23
TPSA117.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine
CID 123137691
N-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfanylmethyl]-6-[6-(2H-tetrazol-5-ylamino)-3-pyridinyl]pyrimidin-4-amine
CID 155440050
6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265643
N-[4-[6-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
CID 11257563
N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine
CID 114270502
6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 115265704
6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
CID 107361052
6-[6-(ethylamino)-3-pyridinyl]-N-[2-(1,5-naphthyridin-4-yl)ethyl]pyrimidin-4-amine
CID 123280961
N-(2H-tetrazol-5-yl)triazin-4-amine
CID 133064897
N-ethyl-6-quinolin-5-ylpyrimidin-4-amine
CID 81221755
4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80847426
N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine
CID 103144332

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine (CID 118033843) is N-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine is CCNc1cc(-c2ccnc(Nc3nn[nH]n3)c2)ncn1.
What is the InChIKey of N-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine?
The InChIKey is IPZNHLYTWZQBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N9/c1-2-13-10-6-9(15-7-16-10)8-3-4-14-11(5-8)17-12-18-20-21-19-12/h3-7H,2H2,1H3,(H,13,15,16)(H2,14,17,18,19,20,21).
What are the key properties of N-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine?
N-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine has a molecular weight of 283.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 118033843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).