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

C19H19N9O — CID 123137691

IUPACN-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1cc(-c2ccnc(Nc3nn[nH]n3)c2)ncn1
InChIInChI=1S/C19H19N9O/c1-29-16-5-3-2-4-13(16)6-8-20-17-11-15(22-12-23-17)14-7-9-21-18(10-14)24-19-25-27-28-26-19/h2-5,7,9-12H,6,8H2,1H3,(H,20,22,23)(H2,21,24,25,26,27,28)
InChIKeyWDRUIKDYNPFIHA-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.46
Rot. Bonds8

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

N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine (PubChem CID 123137691) has the molecular formula C19H19N9O and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine
PubChem CID123137691
Molecular FormulaC19H19N9O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1cc(-c2ccnc(Nc3nn[nH]n3)c2)ncn1
InChIInChI=1S/C19H19N9O/c1-29-16-5-3-2-4-13(16)6-8-20-17-11-15(22-12-23-17)14-7-9-21-18(10-14)24-19-25-27-28-26-19/h2-5,7,9-12H,6,8H2,1H3,(H,20,22,23)(H2,21,24,25,26,27,28)
InChIKeyWDRUIKDYNPFIHA-UHFFFAOYSA-N
XLogP2.46
TPSA126.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

N-ethyl-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine
CID 118033843
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
CID 123763987
N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
CID 123915678
N-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfanylmethyl]-6-[6-(2H-tetrazol-5-ylamino)-3-pyridinyl]pyrimidin-4-amine
CID 155440050
4-N-(3,5-dimethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861517
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine
CID 73214502
N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 961498
N'-[4-[6-[[(2S)-2-(2-methoxyphenyl)propyl]amino]pyrimidin-4-yl]-2-pyridinyl]-N-methylethane-1,2-diamine
CID 118983343
2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol
CID 144832012
4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861528
2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine
CID 106262665

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine (CID 123137691) is N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine is COc1ccccc1CCNc1cc(-c2ccnc(Nc3nn[nH]n3)c2)ncn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine?
The InChIKey is WDRUIKDYNPFIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9O/c1-29-16-5-3-2-4-13(16)6-8-20-17-11-15(22-12-23-17)14-7-9-21-18(10-14)24-19-25-27-28-26-19/h2-5,7,9-12H,6,8H2,1H3,(H,20,22,23)(H2,21,24,25,26,27,28).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine?
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine has a molecular weight of 389.42 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 123137691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).