tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate

C14H24N4O2 — CID 143029344

IUPACtert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
SMILESCc1nccc(NCCCCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-11-15-10-7-12(18-11)16-8-5-6-9-17-13(19)20-14(2,3)4/h7,10H,5-6,8-9H2,1-4H3,(H,17,19)(H,15,16,18)
InChIKeyHAKWQSPWKYPHRX-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.50
Rot. Bonds6

About tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate

tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate (PubChem CID 143029344) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
PubChem CID143029344
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
SMILESCc1nccc(NCCCCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-11-15-10-7-12(18-11)16-8-5-6-9-17-13(19)20-14(2,3)4/h7,10H,5-6,8-9H2,1-4H3,(H,17,19)(H,15,16,18)
InChIKeyHAKWQSPWKYPHRX-UHFFFAOYSA-N
XLogP2.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-methylpyrimidin-4-amine
CID 62785690
tert-butyl N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]carbamate
CID 115695358
N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide
CID 113243784
tert-butyl N-[3-[(4-ethoxypyrimidin-2-yl)amino]propyl]carbamate
CID 114518116
tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate
CID 115611755
4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium
CID 159133812
3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 64701760
tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate
CID 101399946
tert-butyl N-[3-[(6-fluoro-3-pyridinyl)amino]propyl]carbamate
CID 107095376
tert-butyl N-[4-(1H-pyrazol-5-yloxy)butyl]carbamate
CID 164885813
tert-butyl N-[4-(acridin-9-ylamino)butyl]carbamate
CID 11291507
tert-butyl N-[3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propyl]carbamate
CID 103880075

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate (CID 143029344) is tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate is Cc1nccc(NCCCCNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate?
The InChIKey is HAKWQSPWKYPHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-15-10-7-12(18-11)16-8-5-6-9-17-13(19)20-14(2,3)4/h7,10H,5-6,8-9H2,1-4H3,(H,17,19)(H,15,16,18).
What are the key properties of tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate?
tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate is sourced from PubChem (CID 143029344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).