tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate

C14H24N4O2 — CID 115611755

IUPACtert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate
SMILESCc1cc(C)nc(NCCCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-10-9-11(2)18-12(17-10)15-7-6-8-16-13(19)20-14(3,4)5/h9H,6-8H2,1-5H3,(H,16,19)(H,15,17,18)
InChIKeyQQALQDDIPOJZMP-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.42
Rot. Bonds5

About tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate

tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate (PubChem CID 115611755) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate
PubChem CID115611755
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate
SMILESCc1cc(C)nc(NCCCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-10-9-11(2)18-12(17-10)15-7-6-8-16-13(19)20-14(3,4)5/h9H,6-8H2,1-5H3,(H,16,19)(H,15,17,18)
InChIKeyQQALQDDIPOJZMP-UHFFFAOYSA-N
XLogP2.42
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.42
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

tert-butyl N-[3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propyl]carbamate
CID 103702920
tert-butyl N-[3-[(5-iodopyrimidin-2-yl)amino]propyl]carbamate
CID 104843546
tert-butyl N-[3-[(5-bromopyrimidin-2-yl)amino]propyl]carbamate
CID 115619288
tert-butyl N-[3-(1,2,4-benzotriazin-3-ylamino)propyl]carbamate
CID 103204542
tert-butyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]carbamate
CID 114518194
tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate
CID 143675559
tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate
CID 101399946
tert-butyl N-[3-[(4-ethoxypyrimidin-2-yl)amino]propyl]carbamate
CID 114518116
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[3-[(2-chloroacetyl)amino]propyl]carbamate
CID 15830736
tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
CID 143029344
N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325406

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate (CID 115611755) is tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate is Cc1cc(C)nc(NCCCNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate?
The InChIKey is QQALQDDIPOJZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-9-11(2)18-12(17-10)15-7-6-8-16-13(19)20-14(3,4)5/h9H,6-8H2,1-5H3,(H,16,19)(H,15,17,18).
What are the key properties of tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate?
tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate is sourced from PubChem (CID 115611755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).