6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine

C14H13ClN4O — CID 146407597

IUPAC6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine
SMILESC[C@H](CNc1cc(Cl)ncn1)c1ccnc2ccoc12
InChIInChI=1S/C14H13ClN4O/c1-9(7-17-13-6-12(15)18-8-19-13)10-2-4-16-11-3-5-20-14(10)11/h2-6,8-9H,7H2,1H3,(H,17,18,19)/t9-/m1/s1
InChIKeyDFALRQLQXWEALU-SECBINFHSA-N
MW288.74 g/mol
LogP3.49
Rot. Bonds4

About 6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine

6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine (PubChem CID 146407597) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine
PubChem CID146407597
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine
SMILESC[C@H](CNc1cc(Cl)ncn1)c1ccnc2ccoc12
InChIInChI=1S/C14H13ClN4O/c1-9(7-17-13-6-12(15)18-8-19-13)10-2-4-16-11-3-5-20-14(10)11/h2-6,8-9H,7H2,1H3,(H,17,18,19)/t9-/m1/s1
InChIKeyDFALRQLQXWEALU-SECBINFHSA-N
XLogP3.49
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine (CID 146407597) is 6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine is C[C@H](CNc1cc(Cl)ncn1)c1ccnc2ccoc12.
What is the InChIKey of 6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine?
The InChIKey is DFALRQLQXWEALU-SECBINFHSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-9(7-17-13-6-12(15)18-8-19-13)10-2-4-16-11-3-5-20-14(10)11/h2-6,8-9H,7H2,1H3,(H,17,18,19)/t9-/m1/s1.
What are the key properties of 6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine?
6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine has a molecular weight of 288.74 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine is sourced from PubChem (CID 146407597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).