2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

C19H29N5O2 — CID 95891916

IUPAC2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(Cc3cnc(NC[C@@H]4CCCO4)nc3)CC2)CC1=O
InChIInChI=1S/C19H29N5O2/c1-23-14-19(9-17(23)25)4-6-24(7-5-19)13-15-10-20-18(21-11-15)22-12-16-3-2-8-26-16/h10-11,16H,2-9,12-14H2,1H3,(H,20,21,22)/t16-/m0/s1
InChIKeyKJWSKNNPTONXLL-INIZCTEOSA-N
MW359.47 g/mol
LogP1.51
Rot. Bonds5

About 2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 95891916) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID95891916
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(Cc3cnc(NC[C@@H]4CCCO4)nc3)CC2)CC1=O
InChIInChI=1S/C19H29N5O2/c1-23-14-19(9-17(23)25)4-6-24(7-5-19)13-15-10-20-18(21-11-15)22-12-16-3-2-8-26-16/h10-11,16H,2-9,12-14H2,1H3,(H,20,21,22)/t16-/m0/s1
InChIKeyKJWSKNNPTONXLL-INIZCTEOSA-N
XLogP1.51
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 95891916) is 2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(Cc3cnc(NC[C@@H]4CCCO4)nc3)CC2)CC1=O.
What is the InChIKey of 2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is KJWSKNNPTONXLL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-23-14-19(9-17(23)25)4-6-24(7-5-19)13-15-10-20-18(21-11-15)22-12-16-3-2-8-26-16/h10-11,16H,2-9,12-14H2,1H3,(H,20,21,22)/t16-/m0/s1.
What are the key properties of 2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 359.47 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 95891916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).