(5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one

C16H23N5O — CID 97140262

IUPAC(5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCNc1nc(N2CC[C@]3(CCCNC3=O)C2)nc2c1CCC2
InChIInChI=1S/C16H23N5O/c1-17-13-11-4-2-5-12(11)19-15(20-13)21-9-7-16(10-21)6-3-8-18-14(16)22/h2-10H2,1H3,(H,18,22)(H,17,19,20)/t16-/m1/s1
InChIKeyYQDZHKXDTKRXPH-MRXNPFEDSA-N
MW301.39 g/mol
LogP1.11
Rot. Bonds2

About (5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97140262) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97140262
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCNc1nc(N2CC[C@]3(CCCNC3=O)C2)nc2c1CCC2
InChIInChI=1S/C16H23N5O/c1-17-13-11-4-2-5-12(11)19-15(20-13)21-9-7-16(10-21)6-3-8-18-14(16)22/h2-10H2,1H3,(H,18,22)(H,17,19,20)/t16-/m1/s1
InChIKeyYQDZHKXDTKRXPH-MRXNPFEDSA-N
XLogP1.11
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one (CID 97140262) is (5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one is CNc1nc(N2CC[C@]3(CCCNC3=O)C2)nc2c1CCC2.
What is the InChIKey of (5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YQDZHKXDTKRXPH-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N5O/c1-17-13-11-4-2-5-12(11)19-15(20-13)21-9-7-16(10-21)6-3-8-18-14(16)22/h2-10H2,1H3,(H,18,22)(H,17,19,20)/t16-/m1/s1.
What are the key properties of (5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 301.39 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97140262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).