4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C10H13ClN4 — CID 117100644

IUPAC4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESClc1nc(N2CCCC2)nc2c1CNC2
InChIInChI=1S/C10H13ClN4/c11-9-7-5-12-6-8(7)13-10(14-9)15-3-1-2-4-15/h12H,1-6H2
InChIKeyRDRZXDNZSMOWIE-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.33
Rot. Bonds1

About 4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 117100644) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID117100644
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESClc1nc(N2CCCC2)nc2c1CNC2
InChIInChI=1S/C10H13ClN4/c11-9-7-5-12-6-8(7)13-10(14-9)15-3-1-2-4-15/h12H,1-6H2
InChIKeyRDRZXDNZSMOWIE-UHFFFAOYSA-N
XLogP1.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-4-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 117100646
2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117100826
2-(azepan-1-yl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740020
2-(azepan-1-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742589
4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane
CID 155687907
1-(4,6-dichloro-5-fluoropyrimidin-2-yl)azepane
CID 80550145
4-chloro-2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117101154
2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741242
2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737989
2-(4-methylpiperazin-1-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741010
methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate
CID 114741856
4-(azepan-1-yl)-2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117101729

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 117100644) is 4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is Clc1nc(N2CCCC2)nc2c1CNC2.
What is the InChIKey of 4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is RDRZXDNZSMOWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c11-9-7-5-12-6-8(7)13-10(14-9)15-3-1-2-4-15/h12H,1-6H2.
What are the key properties of 4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 224.69 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 117100644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).