8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

C19H27N7O — CID 162351819

IUPAC8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(Nc2cnn(C(C)C)c2)nc1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C19H27N7O/c1-13(2)26-12-15(11-22-26)23-18-21-10-14(3)16(24-18)25-8-5-19(6-9-25)4-7-20-17(19)27/h10-13H,4-9H2,1-3H3,(H,20,27)(H,21,23,24)
InChIKeyVWVGWTHNNFDQDT-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.41
Rot. Bonds4

About 8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 162351819) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID162351819
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(Nc2cnn(C(C)C)c2)nc1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C19H27N7O/c1-13(2)26-12-15(11-22-26)23-18-21-10-14(3)16(24-18)25-8-5-19(6-9-25)4-7-20-17(19)27/h10-13H,4-9H2,1-3H3,(H,20,27)(H,21,23,24)
InChIKeyVWVGWTHNNFDQDT-UHFFFAOYSA-N
XLogP2.41
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one (CID 162351819) is 8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one is Cc1cnc(Nc2cnn(C(C)C)c2)nc1N1CCC2(CCNC2=O)CC1.
What is the InChIKey of 8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is VWVGWTHNNFDQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-13(2)26-12-15(11-22-26)23-18-21-10-14(3)16(24-18)25-8-5-19(6-9-25)4-7-20-17(19)27/h10-13H,4-9H2,1-3H3,(H,20,27)(H,21,23,24).
What are the key properties of 8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 369.47 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 162351819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).