tert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate

C16H27N5O3 — CID 166465119

IUPACtert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate
SMILESCn1c(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)nc(N)cc1=O
InChIInChI=1S/C16H27N5O3/c1-15(2,3)24-14(23)19-16(4)6-8-21(9-7-16)13-18-11(17)10-12(22)20(13)5/h10H,6-9,17H2,1-5H3,(H,19,23)
InChIKeyFRNRKYNWWOQIHK-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.25
Rot. Bonds2

About tert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate

tert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate (PubChem CID 166465119) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate
PubChem CID166465119
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Nametert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate
SMILESCn1c(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)nc(N)cc1=O
InChIInChI=1S/C16H27N5O3/c1-15(2,3)24-14(23)19-16(4)6-8-21(9-7-16)13-18-11(17)10-12(22)20(13)5/h10H,6-9,17H2,1-5H3,(H,19,23)
InChIKeyFRNRKYNWWOQIHK-UHFFFAOYSA-N
XLogP1.25
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate (CID 166465119) is tert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate is Cn1c(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)nc(N)cc1=O.
What is the InChIKey of tert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate?
The InChIKey is FRNRKYNWWOQIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-15(2,3)24-14(23)19-16(4)6-8-21(9-7-16)13-18-11(17)10-12(22)20(13)5/h10H,6-9,17H2,1-5H3,(H,19,23).
What are the key properties of tert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate?
tert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate has a molecular weight of 337.42 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 166465119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).