4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine

C18H26N6 — CID 110256178

IUPAC4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2nccnc2C2CCCN(C(C)C)C2)n1
InChIInChI=1S/C18H26N6/c1-12(2)24-9-5-6-15(11-24)16-17(20-8-7-19-16)23-18-21-13(3)10-14(4)22-18/h7-8,10,12,15H,5-6,9,11H2,1-4H3,(H,20,21,22,23)
InChIKeyDIMWXYTVVHYIQE-UHFFFAOYSA-N
MW326.45 g/mol
LogP3.21
Rot. Bonds4

About 4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine

4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine (PubChem CID 110256178) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
PubChem CID110256178
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2nccnc2C2CCCN(C(C)C)C2)n1
InChIInChI=1S/C18H26N6/c1-12(2)24-9-5-6-15(11-24)16-17(20-8-7-19-16)23-18-21-13(3)10-14(4)22-18/h7-8,10,12,15H,5-6,9,11H2,1-4H3,(H,20,21,22,23)
InChIKeyDIMWXYTVVHYIQE-UHFFFAOYSA-N
XLogP3.21
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine (CID 110256178) is 4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine is Cc1cc(C)nc(Nc2nccnc2C2CCCN(C(C)C)C2)n1.
What is the InChIKey of 4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine?
The InChIKey is DIMWXYTVVHYIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-12(2)24-9-5-6-15(11-24)16-17(20-8-7-19-16)23-18-21-13(3)10-14(4)22-18/h7-8,10,12,15H,5-6,9,11H2,1-4H3,(H,20,21,22,23).
What are the key properties of 4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine?
4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine has a molecular weight of 326.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 110256178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).