N-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine

C20H18ClN7 — CID 19689569

IUPACN-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine
SMILESClc1cccc(Nc2nccc(-c3ccnc(NCCc4cnc[nH]4)c3)n2)c1
InChIInChI=1S/C20H18ClN7/c21-15-2-1-3-16(11-15)27-20-25-9-6-18(28-20)14-4-7-23-19(10-14)24-8-5-17-12-22-13-26-17/h1-4,6-7,9-13H,5,8H2,(H,22,26)(H,23,24)(H,25,27,28)
InChIKeyIPWNDJWJXCLYIL-UHFFFAOYSA-N
MW391.87 g/mol
LogP4.31
Rot. Bonds7

About N-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine

N-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine (PubChem CID 19689569) has the molecular formula C20H18ClN7 and a molecular weight of 391.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine
PubChem CID19689569
Molecular FormulaC20H18ClN7
Molecular Weight391.87 g/mol
Exact Mass391.13
IUPAC NameN-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine
SMILESClc1cccc(Nc2nccc(-c3ccnc(NCCc4cnc[nH]4)c3)n2)c1
InChIInChI=1S/C20H18ClN7/c21-15-2-1-3-16(11-15)27-20-25-9-6-18(28-20)14-4-7-23-19(10-14)24-8-5-17-12-22-13-26-17/h1-4,6-7,9-13H,5,8H2,(H,22,26)(H,23,24)(H,25,27,28)
InChIKeyIPWNDJWJXCLYIL-UHFFFAOYSA-N
XLogP4.31
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine (CID 19689569) is N-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine is Clc1cccc(Nc2nccc(-c3ccnc(NCCc4cnc[nH]4)c3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine?
The InChIKey is IPWNDJWJXCLYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN7/c21-15-2-1-3-16(11-15)27-20-25-9-6-18(28-20)14-4-7-23-19(10-14)24-8-5-17-12-22-13-26-17/h1-4,6-7,9-13H,5,8H2,(H,22,26)(H,23,24)(H,25,27,28).
What are the key properties of N-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine?
N-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine has a molecular weight of 391.87 g/mol, XLogP of 4.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]-4-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 19689569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).