4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine

C23H30N6O2 — CID 127248806

IUPAC4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N(C)C)nc2C2CN(Cc3cn(C)nc3C)CCO2)cc1
InChIInChI=1S/C23H30N6O2/c1-16-18(13-28(4)26-16)14-29-10-11-31-21(15-29)22-20(12-24-23(25-22)27(2)3)17-6-8-19(30-5)9-7-17/h6-9,12-13,21H,10-11,14-15H2,1-5H3
InChIKeyTWKBREMBKIRZEE-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.83
Rot. Bonds6

About 4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine

4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 127248806) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
PubChem CID127248806
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N(C)C)nc2C2CN(Cc3cn(C)nc3C)CCO2)cc1
InChIInChI=1S/C23H30N6O2/c1-16-18(13-28(4)26-16)14-29-10-11-31-21(15-29)22-20(12-24-23(25-22)27(2)3)17-6-8-19(30-5)9-7-17/h6-9,12-13,21H,10-11,14-15H2,1-5H3
InChIKeyTWKBREMBKIRZEE-UHFFFAOYSA-N
XLogP2.83
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
CID 127248675
4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
CID 127250503
2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide
CID 127248750
(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]morpholine
CID 125005877
5-(4-chlorophenyl)-4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine
CID 110266137
4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
CID 110266388
[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 127248844
4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 110266742
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124975171
4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 92615311
[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393371
5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride
CID 171688129

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine (CID 127248806) is 4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine is COc1ccc(-c2cnc(N(C)C)nc2C2CN(Cc3cn(C)nc3C)CCO2)cc1.
What is the InChIKey of 4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is TWKBREMBKIRZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-16-18(13-28(4)26-16)14-29-10-11-31-21(15-29)22-20(12-24-23(25-22)27(2)3)17-6-8-19(30-5)9-7-17/h6-9,12-13,21H,10-11,14-15H2,1-5H3.
What are the key properties of 4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine?
4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 422.53 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 127248806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).