6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine

C15H18ClN5O — CID 67033343

IUPAC6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine
SMILESNc1cc(-c2cncc(NCC3CCOCC3)n2)c(Cl)cn1
InChIInChI=1S/C15H18ClN5O/c16-12-7-19-14(17)5-11(12)13-8-18-9-15(21-13)20-6-10-1-3-22-4-2-10/h5,7-10H,1-4,6H2,(H2,17,19)(H,20,21)
InChIKeyPSKLCSMWFRMQOU-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.61
Rot. Bonds4

About 6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine

6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine (PubChem CID 67033343) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine
PubChem CID67033343
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine
SMILESNc1cc(-c2cncc(NCC3CCOCC3)n2)c(Cl)cn1
InChIInChI=1S/C15H18ClN5O/c16-12-7-19-14(17)5-11(12)13-8-18-9-15(21-13)20-6-10-1-3-22-4-2-10/h5,7-10H,1-4,6H2,(H2,17,19)(H,20,21)
InChIKeyPSKLCSMWFRMQOU-UHFFFAOYSA-N
XLogP2.61
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazine-Pyridine Biheteroaryl 38
CID 5330368
Pyrazine-Pyridine Biheteroaryl 52
CID 5330380
Pyrazine-Pyridine Biheteroaryl 54
CID 5330382
3-((5-(6-((3-Chlorophenyl)amino)pyrazinyl)-3-pyridinyl)amino)-1-propanol
CID 5330387
Pyrazine-Pyridine Biheteroaryl 39
CID 5330388
Pyrazine-Pyridine deriv. 47
CID 5330403
Pyrazine-Pyridine deriv. 51
CID 5330404
Pyrazine-Pyridine Biheteroaryl 19
CID 5330361
6-(5-aminopyridin-3-yl)-N-(3-chlorophenyl)pyrazin-2-amine
CID 5330367
Pyrazine-Pyridine Biheteroaryl 79
CID 5330396
4-N-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 50905090
4-N-[5-chloro-4-[6-[[(3R)-oxan-3-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50905091

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine (CID 67033343) is 6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine is Nc1cc(-c2cncc(NCC3CCOCC3)n2)c(Cl)cn1.
What is the InChIKey of 6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The InChIKey is PSKLCSMWFRMQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c16-12-7-19-14(17)5-11(12)13-8-18-9-15(21-13)20-6-10-1-3-22-4-2-10/h5,7-10H,1-4,6H2,(H2,17,19)(H,20,21).
What are the key properties of 6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine?
6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine has a molecular weight of 319.80 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 67033343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).