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

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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).