4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H29N5O — CID 70707876

IUPAC4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CCC2(CCC1=O)CN(c1ncnc3c1CCC3)CCN2C
InChIInChI=1S/C19H29N5O/c1-3-23-10-9-19(8-7-17(23)25)13-24(12-11-22(19)2)18-15-5-4-6-16(15)20-14-21-18/h14H,3-13H2,1-2H3
InChIKeyKBXHPKCUFVLUAW-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.49
Rot. Bonds2

About 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70707876) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID70707876
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CCC2(CCC1=O)CN(c1ncnc3c1CCC3)CCN2C
InChIInChI=1S/C19H29N5O/c1-3-23-10-9-19(8-7-17(23)25)13-24(12-11-22(19)2)18-15-5-4-6-16(15)20-14-21-18/h14H,3-13H2,1-2H3
InChIKeyKBXHPKCUFVLUAW-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70707876) is 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CCN1CCC2(CCC1=O)CN(c1ncnc3c1CCC3)CCN2C.
What is the InChIKey of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is KBXHPKCUFVLUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-3-23-10-9-19(8-7-17(23)25)13-24(12-11-22(19)2)18-15-5-4-6-16(15)20-14-21-18/h14H,3-13H2,1-2H3.
What are the key properties of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 343.48 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70707876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).