4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine

C20H22N6O — CID 59198045

IUPAC4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1nccc(-c2cncc(N3CCOCC3)c2)n1
InChIInChI=1S/C20H22N6O/c1-14-2-3-16(21)11-19(14)25-20-23-5-4-18(24-20)15-10-17(13-22-12-15)26-6-8-27-9-7-26/h2-5,10-13H,6-9,21H2,1H3,(H,23,24,25)
InChIKeyJNBPXVQRGPLAOW-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.01
Rot. Bonds4

About 4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine

4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine (PubChem CID 59198045) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine
PubChem CID59198045
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1nccc(-c2cncc(N3CCOCC3)c2)n1
InChIInChI=1S/C20H22N6O/c1-14-2-3-16(21)11-19(14)25-20-23-5-4-18(24-20)15-10-17(13-22-12-15)26-6-8-27-9-7-26/h2-5,10-13H,6-9,21H2,1H3,(H,23,24,25)
InChIKeyJNBPXVQRGPLAOW-UHFFFAOYSA-N
XLogP3.01
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]carbamoyl]phenyl]methanesulfinic acid
CID 174610525
2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine
CID 117078620
morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 117078709
3-N-[4-[5-(2-fluoroethoxy)-3-pyridinyl]pyrimidin-2-yl]-4-methylbenzene-1,3-diamine
CID 59487106
3-[4-methyl-3-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-4-methylsulfonylbenzamide
CID 142783298
1-[3-[[4-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-4-methylphenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 59198143
N-[4-methyl-3-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-4-methylsulfonylbenzamide
CID 25114422
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
3-[[4-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-4-methylbenzoic acid
CID 59198021
4-chlorobenzoyl chloride;4-chloro-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;methane;4-methyl-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 159152578
N-ethyl-4-methyl-5-[2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 11538800
4-methyl-3-N-[4-(2H-pyrimidin-1-yl)pyrimidin-2-yl]benzene-1,3-diamine
CID 68691254

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine?
The IUPAC name of 4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine (CID 59198045) is 4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine is Cc1ccc(N)cc1Nc1nccc(-c2cncc(N3CCOCC3)c2)n1.
What is the InChIKey of 4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine?
The InChIKey is JNBPXVQRGPLAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-2-3-16(21)11-19(14)25-20-23-5-4-18(24-20)15-10-17(13-22-12-15)26-6-8-27-9-7-26/h2-5,10-13H,6-9,21H2,1H3,(H,23,24,25).
What are the key properties of 4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine?
4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine has a molecular weight of 362.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine is sourced from PubChem (CID 59198045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).