4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine

C19H18ClN5O — CID 59333833

IUPAC4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine
SMILESClc1cc(N2CCOCC2)nc(Nc2cccc(-c3cccnc3)c2)n1
InChIInChI=1S/C19H18ClN5O/c20-17-12-18(25-7-9-26-10-8-25)24-19(23-17)22-16-5-1-3-14(11-16)15-4-2-6-21-13-15/h1-6,11-13H,7-10H2,(H,22,23,24)
InChIKeyBDOZBTCUCOZQHN-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.77
Rot. Bonds4

About 4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine

4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine (PubChem CID 59333833) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine
PubChem CID59333833
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine
SMILESClc1cc(N2CCOCC2)nc(Nc2cccc(-c3cccnc3)c2)n1
InChIInChI=1S/C19H18ClN5O/c20-17-12-18(25-7-9-26-10-8-25)24-19(23-17)22-16-5-1-3-14(11-16)15-4-2-6-21-13-15/h1-6,11-13H,7-10H2,(H,22,23,24)
InChIKeyBDOZBTCUCOZQHN-UHFFFAOYSA-N
XLogP3.77
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine (CID 59333833) is 4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine is Clc1cc(N2CCOCC2)nc(Nc2cccc(-c3cccnc3)c2)n1.
What is the InChIKey of 4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine?
The InChIKey is BDOZBTCUCOZQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-17-12-18(25-7-9-26-10-8-25)24-19(23-17)22-16-5-1-3-14(11-16)15-4-2-6-21-13-15/h1-6,11-13H,7-10H2,(H,22,23,24).
What are the key properties of 4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine?
4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine has a molecular weight of 367.84 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 59333833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).