tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate

C19H30N8O2 — CID 153291318

IUPACtert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate
SMILESCn1cc(-c2cnc(N)nc2NCCN2CCN(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C19H30N8O2/c1-19(2,3)29-18(28)27-9-7-26(8-10-27)6-5-21-16-15(12-22-17(20)24-16)14-11-23-25(4)13-14/h11-13H,5-10H2,1-4H3,(H3,20,21,22,24)
InChIKeyYZSUGTPXJPOCKQ-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.42
Rot. Bonds5

About tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate (PubChem CID 153291318) has the molecular formula C19H30N8O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate
PubChem CID153291318
Molecular FormulaC19H30N8O2
Molecular Weight402.50 g/mol
Exact Mass402.25
IUPAC Nametert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate
SMILESCn1cc(-c2cnc(N)nc2NCCN2CCN(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C19H30N8O2/c1-19(2,3)29-18(28)27-9-7-26(8-10-27)6-5-21-16-15(12-22-17(20)24-16)14-11-23-25(4)13-14/h11-13H,5-10H2,1-4H3,(H3,20,21,22,24)
InChIKeyYZSUGTPXJPOCKQ-UHFFFAOYSA-N
XLogP1.42
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 134512059
5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine
CID 142345155
tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate
CID 163439512
tert-butyl 4-[2-[(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)amino]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate
CID 163973422
tert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate
CID 122657592
tert-butyl 4-[4-amino-5-methyl-2-(1-methylpyrazol-4-yl)phenyl]piperazine-1-carboxylate
CID 165124623
tert-butyl 4-[2-[(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]piperazine-1-carboxylate
CID 66749627
tert-butyl 4-[[5-chloro-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 177052188
tert-butyl 4-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxylate
CID 54595637
tert-butyl 4-[2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]piperazine-1-carboxylate
CID 123919439
tert-butyl 4-[2,2-difluoro-3-[4-(4-methoxycarbonylphenyl)pyrazol-1-yl]propyl]piperazine-1-carboxylate
CID 167508277
tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
CID 134159111

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate (CID 153291318) is tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate is Cn1cc(-c2cnc(N)nc2NCCN2CCN(C(=O)OC(C)(C)C)CC2)cn1.
What is the InChIKey of tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate?
The InChIKey is YZSUGTPXJPOCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8O2/c1-19(2,3)29-18(28)27-9-7-26(8-10-27)6-5-21-16-15(12-22-17(20)24-16)14-11-23-25(4)13-14/h11-13H,5-10H2,1-4H3,(H3,20,21,22,24).
What are the key properties of tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate has a molecular weight of 402.50 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 153291318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).