2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine

C14H17ClN4O2 — CID 166164483

IUPAC2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine
SMILESClc1nc(N2CCOCC2)c2oc(C3CCNC3)cc2n1
InChIInChI=1S/C14H17ClN4O2/c15-14-17-10-7-11(9-1-2-16-8-9)21-12(10)13(18-14)19-3-5-20-6-4-19/h7,9,16H,1-6,8H2
InChIKeyQKWTUBYYXUWWCN-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.79
Rot. Bonds2

About 2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine

2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine (PubChem CID 166164483) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine
PubChem CID166164483
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine
SMILESClc1nc(N2CCOCC2)c2oc(C3CCNC3)cc2n1
InChIInChI=1S/C14H17ClN4O2/c15-14-17-10-7-11(9-1-2-16-8-9)21-12(10)13(18-14)19-3-5-20-6-4-19/h7,9,16H,1-6,8H2
InChIKeyQKWTUBYYXUWWCN-UHFFFAOYSA-N
XLogP1.79
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine (CID 166164483) is 2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine is Clc1nc(N2CCOCC2)c2oc(C3CCNC3)cc2n1.
What is the InChIKey of 2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine?
The InChIKey is QKWTUBYYXUWWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c15-14-17-10-7-11(9-1-2-16-8-9)21-12(10)13(18-14)19-3-5-20-6-4-19/h7,9,16H,1-6,8H2.
What are the key properties of 2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine?
2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine has a molecular weight of 308.77 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 166164483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).