tert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate

C18H31N5O2 — CID 126826981

IUPACtert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate
SMILESCN(C)c1ncc(CNC2(CNC(=O)OC(C)(C)C)CCCC2)cn1
InChIInChI=1S/C18H31N5O2/c1-17(2,3)25-16(24)21-13-18(8-6-7-9-18)22-12-14-10-19-15(20-11-14)23(4)5/h10-11,22H,6-9,12-13H2,1-5H3,(H,21,24)
InChIKeyXADCDASIOFNOPG-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.47
Rot. Bonds6

About tert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate (PubChem CID 126826981) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is tert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate
PubChem CID126826981
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Nametert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate
SMILESCN(C)c1ncc(CNC2(CNC(=O)OC(C)(C)C)CCCC2)cn1
InChIInChI=1S/C18H31N5O2/c1-17(2,3)25-16(24)21-13-18(8-6-7-9-18)22-12-14-10-19-15(20-11-14)23(4)5/h10-11,22H,6-9,12-13H2,1-5H3,(H,21,24)
InChIKeyXADCDASIOFNOPG-UHFFFAOYSA-N
XLogP2.47
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate (CID 126826981) is tert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate is CN(C)c1ncc(CNC2(CNC(=O)OC(C)(C)C)CCCC2)cn1.
What is the InChIKey of tert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate?
The InChIKey is XADCDASIOFNOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-17(2,3)25-16(24)21-13-18(8-6-7-9-18)22-12-14-10-19-15(20-11-14)23(4)5/h10-11,22H,6-9,12-13H2,1-5H3,(H,21,24).
What are the key properties of tert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate has a molecular weight of 349.48 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 126826981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).