(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

C19H30N6O — CID 97136959

IUPAC(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
SMILESCCN1CC[C@]2(CCC1=O)CN(c1nc(N)nc3c1CCC3)CCN2C
InChIInChI=1S/C19H30N6O/c1-3-24-10-9-19(8-7-16(24)26)13-25(12-11-23(19)2)17-14-5-4-6-15(14)21-18(20)22-17/h3-13H2,1-2H3,(H2,20,21,22)/t19-/m1/s1
InChIKeyMDCHBMLNEKINHX-LJQANCHMSA-N
MW358.49 g/mol
LogP1.07
Rot. Bonds2

About (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

(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 (PubChem CID 97136959) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97136959
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name(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
SMILESCCN1CC[C@]2(CCC1=O)CN(c1nc(N)nc3c1CCC3)CCN2C
InChIInChI=1S/C19H30N6O/c1-3-24-10-9-19(8-7-16(24)26)13-25(12-11-23(19)2)17-14-5-4-6-15(14)21-18(20)22-17/h3-13H2,1-2H3,(H2,20,21,22)/t19-/m1/s1
InChIKeyMDCHBMLNEKINHX-LJQANCHMSA-N
XLogP1.07
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCN1CC[C@]2(CCC1=O)CN(c1nc(N)nc3c1CCC3)CCN2C.
What is the InChIKey of (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?
The InChIKey is MDCHBMLNEKINHX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30N6O/c1-3-24-10-9-19(8-7-16(24)26)13-25(12-11-23(19)2)17-14-5-4-6-15(14)21-18(20)22-17/h3-13H2,1-2H3,(H2,20,21,22)/t19-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 358.49 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97136959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).