N-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen

C17H24N6O — CID 142337023

IUPACN-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen
SMILESC=Cn1ccc(Nc2cc(N3CCOCC3)nc(C)n2)c/c1=N/C.[H][H]
InChIInChI=1S/C17H22N6O.H2/c1-4-22-6-5-14(11-16(22)18-3)21-15-12-17(20-13(2)19-15)23-7-9-24-10-8-23;/h4-6,11-12H,1,7-10H2,2-3H3,(H,19,20,21);1H/b18-16-;
InChIKeyQDIXBLRIWLZVJQ-FTUZMNKQSA-N
MW328.42 g/mol
LogP2.04
Rot. Bonds4

About N-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen

N-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen (PubChem CID 142337023) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen.

Molecular Properties

Compound NameN-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen
PubChem CID142337023
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen
SMILESC=Cn1ccc(Nc2cc(N3CCOCC3)nc(C)n2)c/c1=N/C.[H][H]
InChIInChI=1S/C17H22N6O.H2/c1-4-22-6-5-14(11-16(22)18-3)21-15-12-17(20-13(2)19-15)23-7-9-24-10-8-23;/h4-6,11-12H,1,7-10H2,2-3H3,(H,19,20,21);1H/b18-16-;
InChIKeyQDIXBLRIWLZVJQ-FTUZMNKQSA-N
XLogP2.04
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869966
N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869918
2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112869941
methyl 3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112869947
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869929
2,4,6-trimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 46268127
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
3,5-difluoro-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297492
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112869912
4-cyano-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297534
1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 70674637
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889

Frequently Asked Questions

What is the IUPAC name of N-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen?
The IUPAC name of N-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen (CID 142337023) is N-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen.
What is the SMILES notation for N-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen?
The canonical SMILES for N-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen is C=Cn1ccc(Nc2cc(N3CCOCC3)nc(C)n2)c/c1=N/C.[H][H].
What is the InChIKey of N-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen?
The InChIKey is QDIXBLRIWLZVJQ-FTUZMNKQSA-N. The full InChI is InChI=1S/C17H22N6O.H2/c1-4-22-6-5-14(11-16(22)18-3)21-15-12-17(20-13(2)19-15)23-7-9-24-10-8-23;/h4-6,11-12H,1,7-10H2,2-3H3,(H,19,20,21);1H/b18-16-;.
What are the key properties of N-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen?
N-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen has a molecular weight of 328.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 142337023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).