(6R)-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 97132430

IUPAC(6R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CC[C@]2(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/t19-/m1/s1
InChIKeyKBXHPKCUFVLUAW-LJQANCHMSA-N
MW343.48 g/mol
LogP1.49
Rot. Bonds2

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

(6R)-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 97132430) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is (6R)-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 Name(6R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97132430
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name(6R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CC[C@]2(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/t19-/m1/s1
InChIKeyKBXHPKCUFVLUAW-LJQANCHMSA-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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Related Compounds

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
(6R)-4-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97136959
2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70742005
(6S)-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95861690
(6S)-10-ethyl-1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97272056
4-(5-ethyl-2-methylpyrimidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70716153
(6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97201141
(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97127057
2-[10-(cyclopropylmethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile
CID 70737212
(6S)-4-(3-chloro-4-methylbenzoyl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97203698
4-(6-cyclopropylpyrimidin-4-yl)-10-(2-hydroxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72885348
2-[10-(cyclopropylmethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 70788738

Frequently Asked Questions

What is the IUPAC name of (6R)-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 (6R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97132430) is (6R)-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 (6R)-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 (6R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CCN1CC[C@]2(CCC1=O)CN(c1ncnc3c1CCC3)CCN2C.
What is the InChIKey of (6R)-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-LJQANCHMSA-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/t19-/m1/s1.
What are the key properties of (6R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-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 (6R)-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 97132430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).