methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate

C9H14N4O2 — CID 90453684

IUPACmethyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate
SMILESCOC(=O)NCCNc1cc(C)ncn1
InChIInChI=1S/C9H14N4O2/c1-7-5-8(13-6-12-7)10-3-4-11-9(14)15-2/h5-6H,3-4H2,1-2H3,(H,11,14)(H,10,12,13)
InChIKeyFOWXFSMHSVHRMY-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.55
Rot. Bonds4

About methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate

methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate (PubChem CID 90453684) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate
PubChem CID90453684
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Namemethyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate
SMILESCOC(=O)NCCNc1cc(C)ncn1
InChIInChI=1S/C9H14N4O2/c1-7-5-8(13-6-12-7)10-3-4-11-9(14)15-2/h5-6H,3-4H2,1-2H3,(H,11,14)(H,10,12,13)
InChIKeyFOWXFSMHSVHRMY-UHFFFAOYSA-N
XLogP0.55
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.55
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

2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate
CID 61225699
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
4-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133298596
2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133298322
N-(2-bromoethyl)-6-methylpyrimidin-4-amine
CID 126848039
2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide
CID 133300301
(6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate
CID 83820797
tert-butyl N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]carbamate
CID 115695358
N-(3-bromopropyl)-6-methylpyrimidin-4-amine
CID 126848040
N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 61225693
N-(2-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 115658439

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate?
The IUPAC name of methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate (CID 90453684) is methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate is COC(=O)NCCNc1cc(C)ncn1.
What is the InChIKey of methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate?
The InChIKey is FOWXFSMHSVHRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7-5-8(13-6-12-7)10-3-4-11-9(14)15-2/h5-6H,3-4H2,1-2H3,(H,11,14)(H,10,12,13).
What are the key properties of methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate?
methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate has a molecular weight of 210.24 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate is sourced from PubChem (CID 90453684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).