tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate

C17H27N5O2 — CID 86331674

IUPACtert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cc(NC2CC2)ncn1
InChIInChI=1S/C17H27N5O2/c1-17(2,3)24-16(23)22-8-4-5-13(22)10-18-14-9-15(20-11-19-14)21-12-6-7-12/h9,11-13H,4-8,10H2,1-3H3,(H2,18,19,20,21)/t13-/m1/s1
InChIKeyYJHXSSVPMKGHKR-CYBMUJFWSA-N
MW333.44 g/mol
LogP2.86
Rot. Bonds5

About tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate (PubChem CID 86331674) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate
PubChem CID86331674
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Nametert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cc(NC2CC2)ncn1
InChIInChI=1S/C17H27N5O2/c1-17(2,3)24-16(23)22-8-4-5-13(22)10-18-14-9-15(20-11-19-14)21-12-6-7-12/h9,11-13H,4-8,10H2,1-3H3,(H2,18,19,20,21)/t13-/m1/s1
InChIKeyYJHXSSVPMKGHKR-CYBMUJFWSA-N
XLogP2.86
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97172694
tert-butyl (2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176737
tert-butyl (2R)-2-[(pyrazin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97172702
tert-butyl 2-[[(4-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 71634391
tert-butyl 2-[[(5-bromo-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 67090767
tert-butyl (2R)-2-[[(6-methylpyridazin-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176543
tert-butyl 2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carboxylate;ethane
CID 155735409
tert-butyl (2R)-2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 95732030
tert-butyl (2S)-2-[[(5-methylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 123611889
tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
CID 95257239
tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
CID 106636324
tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 97114475

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate (CID 86331674) is tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cc(NC2CC2)ncn1.
What is the InChIKey of tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is YJHXSSVPMKGHKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-17(2,3)24-16(23)22-8-4-5-13(22)10-18-14-9-15(20-11-19-14)21-12-6-7-12/h9,11-13H,4-8,10H2,1-3H3,(H2,18,19,20,21)/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 333.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 86331674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).