tert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate

C16H25N5O2 — CID 67538239

IUPACtert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncnc(N)c2C2CC2)CC1
InChIInChI=1S/C16H25N5O2/c1-16(2,3)23-15(22)21-8-6-20(7-9-21)14-12(11-4-5-11)13(17)18-10-19-14/h10-11H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyHWIHQBGYRCQHMU-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.99
Rot. Bonds2

About tert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate

tert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 67538239) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is tert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID67538239
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Nametert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncnc(N)c2C2CC2)CC1
InChIInChI=1S/C16H25N5O2/c1-16(2,3)23-15(22)21-8-6-20(7-9-21)14-12(11-4-5-11)13(17)18-10-19-14/h10-11H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyHWIHQBGYRCQHMU-UHFFFAOYSA-N
XLogP1.99
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate (CID 67538239) is tert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ncnc(N)c2C2CC2)CC1.
What is the InChIKey of tert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is HWIHQBGYRCQHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-16(2,3)23-15(22)21-8-6-20(7-9-21)14-12(11-4-5-11)13(17)18-10-19-14/h10-11H,4-9H2,1-3H3,(H2,17,18,19).
What are the key properties of tert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 319.41 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-amino-5-cyclopropylpyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 67538239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).