4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine

C21H18ClN7 — CID 11640019

IUPAC4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine
SMILESNc1nccc(C(c2ccc(Cl)cc2)C(c2cccnc2)c2ccnc(N)n2)n1
InChIInChI=1S/C21H18ClN7/c22-15-5-3-13(4-6-15)18(16-7-10-26-20(23)28-16)19(14-2-1-9-25-12-14)17-8-11-27-21(24)29-17/h1-12,18-19H,(H2,23,26,28)(H2,24,27,29)
InChIKeyQCSLJXVPZXRUNL-UHFFFAOYSA-N
MW403.88 g/mol
LogP3.44
Rot. Bonds5

About 4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine

4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine (PubChem CID 11640019) has the molecular formula C21H18ClN7 and a molecular weight of 403.88 g/mol. Its IUPAC name is 4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine
PubChem CID11640019
Molecular FormulaC21H18ClN7
Molecular Weight403.88 g/mol
Exact Mass403.13
IUPAC Name4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine
SMILESNc1nccc(C(c2ccc(Cl)cc2)C(c2cccnc2)c2ccnc(N)n2)n1
InChIInChI=1S/C21H18ClN7/c22-15-5-3-13(4-6-15)18(16-7-10-26-20(23)28-16)19(14-2-1-9-25-12-14)17-8-11-27-21(24)29-17/h1-12,18-19H,(H2,23,26,28)(H2,24,27,29)
InChIKeyQCSLJXVPZXRUNL-UHFFFAOYSA-N
XLogP3.44
TPSA116.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.88
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine (CID 11640019) is 4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine is Nc1nccc(C(c2ccc(Cl)cc2)C(c2cccnc2)c2ccnc(N)n2)n1.
What is the InChIKey of 4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine?
The InChIKey is QCSLJXVPZXRUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7/c22-15-5-3-13(4-6-15)18(16-7-10-26-20(23)28-16)19(14-2-1-9-25-12-14)17-8-11-27-21(24)29-17/h1-12,18-19H,(H2,23,26,28)(H2,24,27,29).
What are the key properties of 4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine?
4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine has a molecular weight of 403.88 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminopyrimidin-4-yl)-1-(4-chlorophenyl)-2-pyridin-3-ylethyl]pyrimidin-2-amine is sourced from PubChem (CID 11640019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).