5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate

C18H25BrN6O2 — CID 162047212

IUPAC5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
SMILESBrc1cncnc1.CC(C)(C)OC(=O)N1CCC(Nc2cncnc2)CC1
InChIInChI=1S/C14H22N4O2.C4H3BrN2/c1-14(2,3)20-13(19)18-6-4-11(5-7-18)17-12-8-15-10-16-9-12;5-4-1-6-3-7-2-4/h8-11,17H,4-7H2,1-3H3;1-3H
InChIKeyYYBAMBIIQBZRRL-UHFFFAOYSA-N
MW437.34 g/mol
LogP3.53
Rot. Bonds2

About 5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate

5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate (PubChem CID 162047212) has the molecular formula C18H25BrN6O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
PubChem CID162047212
Molecular FormulaC18H25BrN6O2
Molecular Weight437.34 g/mol
Exact Mass436.12
IUPAC Name5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
SMILESBrc1cncnc1.CC(C)(C)OC(=O)N1CCC(Nc2cncnc2)CC1
InChIInChI=1S/C14H22N4O2.C4H3BrN2/c1-14(2,3)20-13(19)18-6-4-11(5-7-18)17-12-8-15-10-16-9-12;5-4-1-6-3-7-2-4/h8-11,17H,4-7H2,1-3H3;1-3H
InChIKeyYYBAMBIIQBZRRL-UHFFFAOYSA-N
XLogP3.53
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 155098015
tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate
CID 67958593
tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate
CID 75434801
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(5-bromo-2-pyridinyl)amino]piperidine-1-carboxylate;2,5-dibromopyridine
CID 159561312
1-bromo-4-(trifluoromethylsulfanyl)benzene;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-(trifluoromethylsulfanyl)anilino]piperidine-1-carboxylate
CID 159755307
tert-butyl 4-[(3-bromo-5-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 68897720
tert-butyl (3R)-3-[(5-bromo-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629441
tert-butyl 4-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 70209006
2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate
CID 158644505
tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate
CID 67196651

Frequently Asked Questions

What is the IUPAC name of 5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate?
The IUPAC name of 5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate (CID 162047212) is 5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for 5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate?
The canonical SMILES for 5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate is Brc1cncnc1.CC(C)(C)OC(=O)N1CCC(Nc2cncnc2)CC1.
What is the InChIKey of 5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate?
The InChIKey is YYBAMBIIQBZRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2.C4H3BrN2/c1-14(2,3)20-13(19)18-6-4-11(5-7-18)17-12-8-15-10-16-9-12;5-4-1-6-3-7-2-4/h8-11,17H,4-7H2,1-3H3;1-3H.
What are the key properties of 5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate?
5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate has a molecular weight of 437.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 162047212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).