tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate

C19H31N5O2 — CID 68545431

IUPACtert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(c2cc(C3CCCC3)nc(N)n2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H31N5O2/c1-13-12-23(9-10-24(13)18(25)26-19(2,3)4)16-11-15(21-17(20)22-16)14-7-5-6-8-14/h11,13-14H,5-10,12H2,1-4H3,(H2,20,21,22)/t13-/m1/s1
InChIKeyFBSHPQFDDADKMA-CYBMUJFWSA-N
MW361.49 g/mol
LogP3.16
Rot. Bonds2

About tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate

tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate (PubChem CID 68545431) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
PubChem CID68545431
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Nametert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(c2cc(C3CCCC3)nc(N)n2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H31N5O2/c1-13-12-23(9-10-24(13)18(25)26-19(2,3)4)16-11-15(21-17(20)22-16)14-7-5-6-8-14/h11,13-14H,5-10,12H2,1-4H3,(H2,20,21,22)/t13-/m1/s1
InChIKeyFBSHPQFDDADKMA-CYBMUJFWSA-N
XLogP3.16
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid
CID 68869726
tert-butyl 4-[2-amino-6-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate
CID 68548586
tert-butyl (2R)-4-(6-chloro-2-methylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499251
tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 67371513
tert-butyl (2R)-4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 86329117
tert-butyl (2R)-4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 70277320
tert-butyl (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 86331449
tert-butyl 4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 66569758
tert-butyl (2R)-2-methyl-4-(5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate
CID 176915229
tert-butyl (2R)-4-(6-bromo-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 86329596
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 159078071
tert-butyl (2R)-4-(2-tert-butylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499466

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate (CID 68545431) is tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate is C[C@@H]1CN(c2cc(C3CCCC3)nc(N)n2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate?
The InChIKey is FBSHPQFDDADKMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-13-12-23(9-10-24(13)18(25)26-19(2,3)4)16-11-15(21-17(20)22-16)14-7-5-6-8-14/h11,13-14H,5-10,12H2,1-4H3,(H2,20,21,22)/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate?
tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate has a molecular weight of 361.49 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 68545431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).