4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine

C18H28N6O — CID 165385604

IUPAC4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCNC1CCC(COc2ccnc(Nc3cnn(C(C)C)c3)n2)CC1
InChIInChI=1S/C18H28N6O/c1-13(2)24-11-16(10-21-24)22-18-20-9-8-17(23-18)25-12-14-4-6-15(19-3)7-5-14/h8-11,13-15,19H,4-7,12H2,1-3H3,(H,20,22,23)
InChIKeyNZKKOFIEUDFSNX-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.15
Rot. Bonds7

About 4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine

4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 165385604) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID165385604
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCNC1CCC(COc2ccnc(Nc3cnn(C(C)C)c3)n2)CC1
InChIInChI=1S/C18H28N6O/c1-13(2)24-11-16(10-21-24)22-18-20-9-8-17(23-18)25-12-14-4-6-15(19-3)7-5-14/h8-11,13-15,19H,4-7,12H2,1-3H3,(H,20,22,23)
InChIKeyNZKKOFIEUDFSNX-UHFFFAOYSA-N
XLogP3.15
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
CID 165385529
N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636750
ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 145336730
2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol
CID 165385737
4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806571
8-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 163196400
3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine
CID 79461381
N-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62904071
3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile
CID 107057605
4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol
CID 165385704
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine
CID 80562201

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine (CID 165385604) is 4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine is CNC1CCC(COc2ccnc(Nc3cnn(C(C)C)c3)n2)CC1.
What is the InChIKey of 4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is NZKKOFIEUDFSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-13(2)24-11-16(10-21-24)22-18-20-9-8-17(23-18)25-12-14-4-6-15(19-3)7-5-14/h8-11,13-15,19H,4-7,12H2,1-3H3,(H,20,22,23).
What are the key properties of 4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 344.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 165385604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).