4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C12H17N3 — CID 83848148

IUPAC4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1nc2c(c(CC3CCCN3)n1)CCC2
InChIInChI=1S/C12H17N3/c1-4-10-11(5-1)14-8-15-12(10)7-9-3-2-6-13-9/h8-9,13H,1-7H2
InChIKeyJVHOCFASWYINKX-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.26
Rot. Bonds2

About 4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 83848148) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID83848148
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1nc2c(c(CC3CCCN3)n1)CCC2
InChIInChI=1S/C12H17N3/c1-4-10-11(5-1)14-8-15-12(10)7-9-3-2-6-13-9/h8-9,13H,1-7H2
InChIKeyJVHOCFASWYINKX-UHFFFAOYSA-N
XLogP1.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 62832639
4-ethyl-5-methyl-6-(piperidin-2-ylmethyl)pyrimidine
CID 83849476
N-(pyrrolidin-2-ylmethyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 83837778
2-(piperidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 84735082
3-(2-piperidin-2-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 82105331
4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 117382930
N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114695362
3-methyl-2-(piperidin-2-ylmethyl)pyridine
CID 4715233
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
4-(pyrrolidin-2-ylmethyl)pyrimidine
CID 82596500
N-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)methanamine
CID 83846331
4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 55121513

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 83848148) is 4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1nc2c(c(CC3CCCN3)n1)CCC2.
What is the InChIKey of 4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is JVHOCFASWYINKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-10-11(5-1)14-8-15-12(10)7-9-3-2-6-13-9/h8-9,13H,1-7H2.
What are the key properties of 4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 203.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 83848148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).