2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine

C21H32N6O — CID 70964140

IUPAC2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine
SMILESCc1cnc(N2CCC(C(C)C(C)CCOc3cc(N)nc(C)n3)CC2)cn1
InChIInChI=1S/C21H32N6O/c1-14(7-10-28-21-11-19(22)25-17(4)26-21)16(3)18-5-8-27(9-6-18)20-13-23-15(2)12-24-20/h11-14,16,18H,5-10H2,1-4H3,(H2,22,25,26)
InChIKeyVXJQDXAHYLSILV-UHFFFAOYSA-N
MW384.53 g/mol
LogP3.42
Rot. Bonds7

About 2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine

2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine (PubChem CID 70964140) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine
PubChem CID70964140
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine
SMILESCc1cnc(N2CCC(C(C)C(C)CCOc3cc(N)nc(C)n3)CC2)cn1
InChIInChI=1S/C21H32N6O/c1-14(7-10-28-21-11-19(22)25-17(4)26-21)16(3)18-5-8-27(9-6-18)20-13-23-15(2)12-24-20/h11-14,16,18H,5-10H2,1-4H3,(H2,22,25,26)
InChIKeyVXJQDXAHYLSILV-UHFFFAOYSA-N
XLogP3.42
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine (CID 70964140) is 2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine is Cc1cnc(N2CCC(C(C)C(C)CCOc3cc(N)nc(C)n3)CC2)cn1.
What is the InChIKey of 2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine?
The InChIKey is VXJQDXAHYLSILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-14(7-10-28-21-11-19(22)25-17(4)26-21)16(3)18-5-8-27(9-6-18)20-13-23-15(2)12-24-20/h11-14,16,18H,5-10H2,1-4H3,(H2,22,25,26).
What are the key properties of 2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine?
2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine has a molecular weight of 384.53 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-methyl-4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]pentoxy]pyrimidin-4-amine is sourced from PubChem (CID 70964140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).