2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine

C18H31N3O — CID 133402600

IUPAC2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine
SMILESCCC1(C)CCCN(c2cc(COC)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C18H31N3O/c1-7-18(5)9-8-10-21(13-18)15-11-14(12-22-6)19-16(20-15)17(2,3)4/h11H,7-10,12-13H2,1-6H3
InChIKeyRCLMPTJRBPNWHE-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.94
Rot. Bonds4

About 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine

2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine (PubChem CID 133402600) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine
PubChem CID133402600
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine
SMILESCCC1(C)CCCN(c2cc(COC)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C18H31N3O/c1-7-18(5)9-8-10-21(13-18)15-11-14(12-22-6)19-16(20-15)17(2,3)4/h11H,7-10,12-13H2,1-6H3
InChIKeyRCLMPTJRBPNWHE-UHFFFAOYSA-N
XLogP3.94
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol
CID 133497888
2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 84589613
2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 75431426
2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine
CID 133401963
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-3-yl]azepane
CID 133401629
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 133401089
2-tert-butyl-4-(methoxymethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 133400462
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole
CID 133400871
1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-(oxan-4-yl)-1,4-diazepane
CID 133402150
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one
CID 133401351
2-tert-butyl-4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine
CID 133400574

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine (CID 133402600) is 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine is CCC1(C)CCCN(c2cc(COC)nc(C(C)(C)C)n2)C1.
What is the InChIKey of 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine?
The InChIKey is RCLMPTJRBPNWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-7-18(5)9-8-10-21(13-18)15-11-14(12-22-6)19-16(20-15)17(2,3)4/h11H,7-10,12-13H2,1-6H3.
What are the key properties of 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine?
2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine has a molecular weight of 305.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 133402600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).