6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine

C12H18ClN3 — CID 79350173

IUPAC6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine
SMILESCC1(C)C(CNc2cncc(Cl)n2)C1(C)C
InChIInChI=1S/C12H18ClN3/c1-11(2)8(12(11,3)4)5-15-10-7-14-6-9(13)16-10/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyHTLNXLXNHGQPAN-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.22
Rot. Bonds3

About 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine

6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine (PubChem CID 79350173) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine
PubChem CID79350173
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine
SMILESCC1(C)C(CNc2cncc(Cl)n2)C1(C)C
InChIInChI=1S/C12H18ClN3/c1-11(2)8(12(11,3)4)5-15-10-7-14-6-9(13)16-10/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyHTLNXLXNHGQPAN-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazine-2,6-diamine
CID 80848530
6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80734968
6-chloro-N-prop-2-ynylpyrazin-2-amine
CID 107268148
N-[[4-(aminomethyl)cyclohexyl]methyl]-6-chloropyrazin-2-amine
CID 114231610
1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine
CID 116650911
6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80950784
6-chloro-N-methylpyrazin-2-amine
CID 26967011
6-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrazin-2-amine
CID 107268510
6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
CID 104576969
6-chloro-N-hex-5-ynylpyrazin-2-amine
CID 103757390
6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine
CID 107268817

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine (CID 79350173) is 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine is CC1(C)C(CNc2cncc(Cl)n2)C1(C)C.
What is the InChIKey of 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine?
The InChIKey is HTLNXLXNHGQPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-11(2)8(12(11,3)4)5-15-10-7-14-6-9(13)16-10/h6-8H,5H2,1-4H3,(H,15,16).
What are the key properties of 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine?
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 79350173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).