N'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine

C13H14ClN7S — CID 154636583

IUPACN'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1ncc(Sc2ccnc(N)c2Cl)c2nccn12
InChIInChI=1S/C13H14ClN7S/c14-10-8(1-3-17-11(10)16)22-9-7-20-13(19-4-2-15)21-6-5-18-12(9)21/h1,3,5-7H,2,4,15H2,(H2,16,17)(H,19,20)
InChIKeyKYGZFRUAFJWUAL-UHFFFAOYSA-N
MW335.82 g/mol
LogP1.88
Rot. Bonds5

About N'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine

N'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 154636583) has the molecular formula C13H14ClN7S and a molecular weight of 335.82 g/mol. Its IUPAC name is N'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID154636583
Molecular FormulaC13H14ClN7S
Molecular Weight335.82 g/mol
Exact Mass335.07
IUPAC NameN'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1ncc(Sc2ccnc(N)c2Cl)c2nccn12
InChIInChI=1S/C13H14ClN7S/c14-10-8(1-3-17-11(10)16)22-9-7-20-13(19-4-2-15)21-6-5-18-12(9)21/h1,3,5-7H,2,4,15H2,(H2,16,17)(H,19,20)
InChIKeyKYGZFRUAFJWUAL-UHFFFAOYSA-N
XLogP1.88
TPSA107.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine (CID 154636583) is N'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine is NCCNc1ncc(Sc2ccnc(N)c2Cl)c2nccn12.
What is the InChIKey of N'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is KYGZFRUAFJWUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN7S/c14-10-8(1-3-17-11(10)16)22-9-7-20-13(19-4-2-15)21-6-5-18-12(9)21/h1,3,5-7H,2,4,15H2,(H2,16,17)(H,19,20).
What are the key properties of N'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine?
N'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 335.82 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 154636583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).