N-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine

C20H21N5O — CID 71462104

IUPACN-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C20H21N5O/c1-15-3-2-4-17(13-15)23-20-22-8-6-18(24-20)16-5-7-21-19(14-16)25-9-11-26-12-10-25/h2-8,13-14H,9-12H2,1H3,(H,22,23,24)
InChIKeyGOSZNPGORCKQLX-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.43
Rot. Bonds4

About N-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine

N-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine (PubChem CID 71462104) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine
PubChem CID71462104
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C20H21N5O/c1-15-3-2-4-17(13-15)23-20-22-8-6-18(24-20)16-5-7-21-19(14-16)25-9-11-26-12-10-25/h2-8,13-14H,9-12H2,1H3,(H,22,23,24)
InChIKeyGOSZNPGORCKQLX-UHFFFAOYSA-N
XLogP3.43
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine (CID 71462104) is N-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine is Cc1cccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine?
The InChIKey is GOSZNPGORCKQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-15-3-2-4-17(13-15)23-20-22-8-6-18(24-20)16-5-7-21-19(14-16)25-9-11-26-12-10-25/h2-8,13-14H,9-12H2,1H3,(H,22,23,24).
What are the key properties of N-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine?
N-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine has a molecular weight of 347.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 71462104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).