1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol

C18H28N6O — CID 46999637

IUPAC1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol
SMILESCc1nn(C)c(C)c1-c1ccnc(NCCC2(O)CCN(C)CC2)n1
InChIInChI=1S/C18H28N6O/c1-13-16(14(2)24(4)22-13)15-5-9-19-17(21-15)20-10-6-18(25)7-11-23(3)12-8-18/h5,9,25H,6-8,10-12H2,1-4H3,(H,19,20,21)
InChIKeyIXFJYVBKVABQLV-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.75
Rot. Bonds5

About 1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol

1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol (PubChem CID 46999637) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol
PubChem CID46999637
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol
SMILESCc1nn(C)c(C)c1-c1ccnc(NCCC2(O)CCN(C)CC2)n1
InChIInChI=1S/C18H28N6O/c1-13-16(14(2)24(4)22-13)15-5-9-19-17(21-15)20-10-6-18(25)7-11-23(3)12-8-18/h5,9,25H,6-8,10-12H2,1-4H3,(H,19,20,21)
InChIKeyIXFJYVBKVABQLV-UHFFFAOYSA-N
XLogP1.75
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol (CID 46999637) is 1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol is Cc1nn(C)c(C)c1-c1ccnc(NCCC2(O)CCN(C)CC2)n1.
What is the InChIKey of 1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol?
The InChIKey is IXFJYVBKVABQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-13-16(14(2)24(4)22-13)15-5-9-19-17(21-15)20-10-6-18(25)7-11-23(3)12-8-18/h5,9,25H,6-8,10-12H2,1-4H3,(H,19,20,21).
What are the key properties of 1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol?
1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol has a molecular weight of 344.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol is sourced from PubChem (CID 46999637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).