(7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one

C9H11N2OP — CID 137014834

IUPAC(7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1=CC[C@@H](P)CC=2
InChIInChI=1S/C9H11N2OP/c12-9-7-3-1-6(13)2-4-8(7)10-5-11-9/h3-6H,1-2,13H2,(H,10,11,12)/t6-/m1/s1
InChIKeyOGRPELVRMLLONN-ZCFIWIBFSA-N
MW194.17 g/mol
LogP-0.63
Rot. Bonds

About (7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one

(7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one (PubChem CID 137014834) has the molecular formula C9H11N2OP and a molecular weight of 194.17 g/mol. Its IUPAC name is (7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one.

Molecular Properties

Compound Name(7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one
PubChem CID137014834
Molecular FormulaC9H11N2OP
Molecular Weight194.17 g/mol
Exact Mass194.06
IUPAC Name(7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1=CC[C@@H](P)CC=2
InChIInChI=1S/C9H11N2OP/c12-9-7-3-1-6(13)2-4-8(7)10-5-11-9/h3-6H,1-2,13H2,(H,10,11,12)/t6-/m1/s1
InChIKeyOGRPELVRMLLONN-ZCFIWIBFSA-N
XLogP-0.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 135741900
1,7-dihydropurin-6-one
CID 135546991
azane;1,7-dihydropurin-6-one
CID 158320966
5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586350
4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586426
5-bromo-4-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136977748
methane;3H-quinazolin-4-one
CID 143348425
3,7-dihydropyrrolo[2,3-h]quinazolin-4-one
CID 152522842
5-chloro-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796574
5-bromo-4-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrimidin-6-one
CID 136979756
CID 135618481
CID 135618481
5-bromo-4-(cyclopropylmethyl)-1H-pyrimidin-6-one
CID 178200441

Frequently Asked Questions

What is the IUPAC name of (7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one?
The IUPAC name of (7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one (CID 137014834) is (7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one.
What is the SMILES notation for (7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one?
The canonical SMILES for (7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one is O=c1[nH]cnc2c1=CC[C@@H](P)CC=2.
What is the InChIKey of (7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one?
The InChIKey is OGRPELVRMLLONN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11N2OP/c12-9-7-3-1-6(13)2-4-8(7)10-5-11-9/h3-6H,1-2,13H2,(H,10,11,12)/t6-/m1/s1.
What are the key properties of (7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one?
(7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one has a molecular weight of 194.17 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-phosphanyl-3,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-one is sourced from PubChem (CID 137014834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).