(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine

C12H16ClN3O — CID 87111841

IUPAC(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C12H16ClN3O/c1-8-7-17-6-5-16(8)11-9-3-2-4-10(9)14-12(13)15-11/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyBTJJHKXJDIDNDR-QMMMGPOBSA-N
MW253.73 g/mol
LogP1.84
Rot. Bonds1

About (3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine

(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine (PubChem CID 87111841) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine
PubChem CID87111841
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C12H16ClN3O/c1-8-7-17-6-5-16(8)11-9-3-2-4-10(9)14-12(13)15-11/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyBTJJHKXJDIDNDR-QMMMGPOBSA-N
XLogP1.84
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine?
The IUPAC name of (3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine (CID 87111841) is (3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine.
What is the SMILES notation for (3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine?
The canonical SMILES for (3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine is C[C@H]1COCCN1c1nc(Cl)nc2c1CCC2.
What is the InChIKey of (3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine?
The InChIKey is BTJJHKXJDIDNDR-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8-7-17-6-5-16(8)11-9-3-2-4-10(9)14-12(13)15-11/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine?
(3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine has a molecular weight of 253.73 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylmorpholine is sourced from PubChem (CID 87111841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).