N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine

C16H24N6O — CID 136574257

IUPACN-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1c(Nc2nccc(N3CCOCC3)n2)cnn1CC(C)C
InChIInChI=1S/C16H24N6O/c1-12(2)11-22-13(3)14(10-18-22)19-16-17-5-4-15(20-16)21-6-8-23-9-7-21/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19,20)
InChIKeyGXSLYNGFNLYZEE-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.22
Rot. Bonds5

About N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine

N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 136574257) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID136574257
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1c(Nc2nccc(N3CCOCC3)n2)cnn1CC(C)C
InChIInChI=1S/C16H24N6O/c1-12(2)11-22-13(3)14(10-18-22)19-16-17-5-4-15(20-16)21-6-8-23-9-7-21/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19,20)
InChIKeyGXSLYNGFNLYZEE-UHFFFAOYSA-N
XLogP2.22
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886524
4-N,4-N-diethyl-1-N-(4-morpholin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112886496
N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 142745789
methyl 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112886492
N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886522
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112886382
N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883925
4-[2-(2-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888570
1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone
CID 167539559
N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886388
4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 58891146

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine (CID 136574257) is N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine is Cc1c(Nc2nccc(N3CCOCC3)n2)cnn1CC(C)C.
What is the InChIKey of N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is GXSLYNGFNLYZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-12(2)11-22-13(3)14(10-18-22)19-16-17-5-4-15(20-16)21-6-8-23-9-7-21/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19,20).
What are the key properties of N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine?
N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 316.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 136574257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).