4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine

C17H24N6O3S — CID 170305517

IUPAC4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nc(N3CCOCC3C)cc(C3(S(C)(=O)=O)CC3)n2)n[nH]1
InChIInChI=1S/C17H24N6O3S/c1-11-8-14(22-21-11)19-16-18-13(17(4-5-17)27(3,24)25)9-15(20-16)23-6-7-26-10-12(23)2/h8-9,12H,4-7,10H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyRZBCGRCCEYDIRH-UHFFFAOYSA-N
MW392.49 g/mol
LogP1.51
Rot. Bonds5

About 4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine

4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine (PubChem CID 170305517) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is 4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine
PubChem CID170305517
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC Name4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nc(N3CCOCC3C)cc(C3(S(C)(=O)=O)CC3)n2)n[nH]1
InChIInChI=1S/C17H24N6O3S/c1-11-8-14(22-21-11)19-16-18-13(17(4-5-17)27(3,24)25)9-15(20-16)23-6-7-26-10-12(23)2/h8-9,12H,4-7,10H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyRZBCGRCCEYDIRH-UHFFFAOYSA-N
XLogP1.51
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-4-[(3R)-3-methylmorpholin-4-yl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-1-ium-2-amine
CID 169304952
3-tert-butyl-5-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]amino]pyrazole-1-carboxylic acid
CID 170305527
1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile
CID 169304962
CID 167996467
CID 167996467
6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 166928055
(3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine
CID 166927953
imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 166756222
imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane
CID 171463158
imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1-oxo-[1,2]thiazolo[4,5-b]pyridin-7-yl]cyclopropyl]-oxo-λ6-sulfane
CID 169061203
(3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
CID 141272787
3-(iodomethyl)-6-[(3R)-3-methylmorpholin-4-yl]-4-(1-methylsulfonylcyclopropyl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 170361452
imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 154961493

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine (CID 170305517) is 4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine is Cc1cc(Nc2nc(N3CCOCC3C)cc(C3(S(C)(=O)=O)CC3)n2)n[nH]1.
What is the InChIKey of 4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine?
The InChIKey is RZBCGRCCEYDIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-11-8-14(22-21-11)19-16-18-13(17(4-5-17)27(3,24)25)9-15(20-16)23-6-7-26-10-12(23)2/h8-9,12H,4-7,10H2,1-3H3,(H2,18,19,20,21,22).
What are the key properties of 4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine?
4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine has a molecular weight of 392.49 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine is sourced from PubChem (CID 170305517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).