2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine

C14H15ClN4O — CID 141443352

IUPAC2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine
SMILESCC(CNc1ccnc(Cl)n1)c1ccnc2c1OCC2
InChIInChI=1S/C14H15ClN4O/c1-9(8-18-12-3-6-17-14(15)19-12)10-2-5-16-11-4-7-20-13(10)11/h2-3,5-6,9H,4,7-8H2,1H3,(H,17,18,19)
InChIKeyKJKJASDKLXPZAA-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.68
Rot. Bonds4

About 2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine

2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine (PubChem CID 141443352) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine
PubChem CID141443352
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine
SMILESCC(CNc1ccnc(Cl)n1)c1ccnc2c1OCC2
InChIInChI=1S/C14H15ClN4O/c1-9(8-18-12-3-6-17-14(15)19-12)10-2-5-16-11-4-7-20-13(10)11/h2-3,5-6,9H,4,7-8H2,1H3,(H,17,18,19)
InChIKeyKJKJASDKLXPZAA-UHFFFAOYSA-N
XLogP2.68
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine (CID 141443352) is 2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine is CC(CNc1ccnc(Cl)n1)c1ccnc2c1OCC2.
What is the InChIKey of 2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine?
The InChIKey is KJKJASDKLXPZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-9(8-18-12-3-6-17-14(15)19-12)10-2-5-16-11-4-7-20-13(10)11/h2-3,5-6,9H,4,7-8H2,1H3,(H,17,18,19).
What are the key properties of 2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine?
2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine has a molecular weight of 290.75 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 141443352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).