5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine

C14H17ClN6 — CID 155942328

IUPAC5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H17ClN6/c1-20(14-18-8-11(15)9-19-14)12-2-6-21(7-3-12)13-10-16-4-5-17-13/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyWMZXYQQUTVVSOC-UHFFFAOYSA-N
MW304.79 g/mol
LogP2.03
Rot. Bonds3

About 5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine

5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 155942328) has the molecular formula C14H17ClN6 and a molecular weight of 304.79 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID155942328
Molecular FormulaC14H17ClN6
Molecular Weight304.79 g/mol
Exact Mass304.12
IUPAC Name5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H17ClN6/c1-20(14-18-8-11(15)9-19-14)12-2-6-21(7-3-12)13-10-16-4-5-17-13/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyWMZXYQQUTVVSOC-UHFFFAOYSA-N
XLogP2.03
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163345660
5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine
CID 163345440
N,2,6-trimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyridin-4-amine
CID 166304823
5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine
CID 163345578
1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 166603322
5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine
CID 155942310
2-(4-bromopiperidin-1-yl)pyrazine
CID 80674882
5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine
CID 75377306
5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163344044
5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 155981617
N'-hydroxy-1-pyrazin-2-ylpiperidine-4-carboximidamide
CID 131632877
N-ethyl-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134005797

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine (CID 155942328) is 5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine is CN(c1ncc(Cl)cn1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of 5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is WMZXYQQUTVVSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6/c1-20(14-18-8-11(15)9-19-14)12-2-6-21(7-3-12)13-10-16-4-5-17-13/h4-5,8-10,12H,2-3,6-7H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine?
5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 304.79 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 155942328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).