tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate

C16H26N4O2 — CID 107252088

IUPACtert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(NCc1ccncn1)C1CC1
InChIInChI=1S/C16H26N4O2/c1-15(2,3)22-14(21)18-10-16(4,12-5-6-12)20-9-13-7-8-17-11-19-13/h7-8,11-12,20H,5-6,9-10H2,1-4H3,(H,18,21)
InChIKeyKSYBWVJLLRGGIN-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.26
Rot. Bonds6

About tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate

tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate (PubChem CID 107252088) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate
PubChem CID107252088
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(NCc1ccncn1)C1CC1
InChIInChI=1S/C16H26N4O2/c1-15(2,3)22-14(21)18-10-16(4,12-5-6-12)20-9-13-7-8-17-11-19-13/h7-8,11-12,20H,5-6,9-10H2,1-4H3,(H,18,21)
InChIKeyKSYBWVJLLRGGIN-UHFFFAOYSA-N
XLogP2.26
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Tert-butyl-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 75444258
tert-butyl N-((5-amino-4-methylpyrimidin-2-yl)methyl)carbamate
CID 155820562
t-Butyl {2-[4-(trifluoromethyl)pyrimidin-2-yl]propan-2-yl}carbamate
CID 154824381
7-[(2-Isopropyl-4-pyrimidinyl)methyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56882648
tert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamate
CID 2796087
tert-butyl N-[2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]amino]ethyl]carbamate
CID 2796312
1-propan-2-yl-3-[[(3R)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]urea
CID 95214895
Tert-butyl 3-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-5-methylpiperidine-1-carboxylate
CID 126816663
tert-butyl N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]carbamate
CID 59462961
Tert-butyl 4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate
CID 69684291
tert-butyl N-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]carbamate
CID 69910086
tert-butyl N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]carbamate
CID 69910087

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate (CID 107252088) is tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate is CC(C)(C)OC(=O)NCC(C)(NCc1ccncn1)C1CC1.
What is the InChIKey of tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate?
The InChIKey is KSYBWVJLLRGGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-15(2,3)22-14(21)18-10-16(4,12-5-6-12)20-9-13-7-8-17-11-19-13/h7-8,11-12,20H,5-6,9-10H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate?
tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate is sourced from PubChem (CID 107252088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).