2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine

C19H28N6O2 — CID 133401963

IUPAC2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine
SMILESCOCc1cc(N2CCN(c3cncc(OC)n3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H28N6O2/c1-19(2,3)18-21-14(13-26-4)10-15(23-18)24-6-8-25(9-7-24)16-11-20-12-17(22-16)27-5/h10-12H,6-9,13H2,1-5H3
InChIKeyIMBGDKKUYAHTAZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.05
Rot. Bonds5

About 2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine

2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 133401963) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine
PubChem CID133401963
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine
SMILESCOCc1cc(N2CCN(c3cncc(OC)n3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H28N6O2/c1-19(2,3)18-21-14(13-26-4)10-15(23-18)24-6-8-25(9-7-24)16-11-20-12-17(22-16)27-5/h10-12H,6-9,13H2,1-5H3
InChIKeyIMBGDKKUYAHTAZ-UHFFFAOYSA-N
XLogP2.05
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 133401089
2-tert-butyl-4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine
CID 133400574
1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol
CID 133497888
2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 75431426
2-tert-butyl-4-(methoxymethyl)-6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133400967
2-tert-butyl-4-(methoxymethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 133400462
6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133401379
2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine
CID 133402600
[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 133400610
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole
CID 133400871

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine (CID 133401963) is 2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine is COCc1cc(N2CCN(c3cncc(OC)n3)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is IMBGDKKUYAHTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-19(2,3)18-21-14(13-26-4)10-15(23-18)24-6-8-25(9-7-24)16-11-20-12-17(22-16)27-5/h10-12H,6-9,13H2,1-5H3.
What are the key properties of 2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine?
2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 372.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133401963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).