2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine

C21H20N6O2 — CID 117078620

IUPAC2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(Nc3nccc(-c4cncc(N5CCOCC5)c4)n3)cc2o1
InChIInChI=1S/C21H20N6O2/c1-14-24-19-3-2-16(11-20(19)29-14)25-21-23-5-4-18(26-21)15-10-17(13-22-12-15)27-6-8-28-9-7-27/h2-5,10-13H,6-9H2,1H3,(H,23,25,26)
InChIKeyVLQRTTYSKBTNJW-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.57
Rot. Bonds4

About 2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine

2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine (PubChem CID 117078620) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine
PubChem CID117078620
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(Nc3nccc(-c4cncc(N5CCOCC5)c4)n3)cc2o1
InChIInChI=1S/C21H20N6O2/c1-14-24-19-3-2-16(11-20(19)29-14)25-21-23-5-4-18(26-21)15-10-17(13-22-12-15)27-6-8-28-9-7-27/h2-5,10-13H,6-9H2,1H3,(H,23,25,26)
InChIKeyVLQRTTYSKBTNJW-UHFFFAOYSA-N
XLogP3.57
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine with MolForge

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Launch Full Analysis

Related Compounds

morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 117078709
4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 59198045
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
4-methyl-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 171509337
[4-[[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]carbamoyl]phenyl]methanesulfinic acid
CID 174610525
4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 46882411
2-chloro-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzonitrile
CID 25061946
3-acetyl-7-[(4-isoquinolin-7-ylpyrimidin-2-yl)amino]-4-morpholin-4-ylchromen-2-one
CID 175192638
3-acetyl-7-[[4-(2,3-dimethylindazol-5-yl)pyrimidin-2-yl]amino]-4-morpholin-4-ylchromen-2-one
CID 164609503
N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-fluorophenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 25221138
N-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 162658060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine (CID 117078620) is 2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine is Cc1nc2ccc(Nc3nccc(-c4cncc(N5CCOCC5)c4)n3)cc2o1.
What is the InChIKey of 2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine?
The InChIKey is VLQRTTYSKBTNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-14-24-19-3-2-16(11-20(19)29-14)25-21-23-5-4-18(26-21)15-10-17(13-22-12-15)27-6-8-28-9-7-27/h2-5,10-13H,6-9H2,1H3,(H,23,25,26).
What are the key properties of 2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine?
2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine has a molecular weight of 388.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 117078620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).