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

C8H11ClN4O2 — CID 83203473

IUPAC2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate
SMILESCc1nc(Cl)cc(NCCOC(N)=O)n1
InChIInChI=1S/C8H11ClN4O2/c1-5-12-6(9)4-7(13-5)11-2-3-15-8(10)14/h4H,2-3H2,1H3,(H2,10,14)(H,11,12,13)
InChIKeyLNNUVCNHNRQUHD-UHFFFAOYSA-N
MW230.66 g/mol
LogP0.95
Rot. Bonds4

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

2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate (PubChem CID 83203473) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.66 g/mol. Its IUPAC name is 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate
PubChem CID83203473
Molecular FormulaC8H11ClN4O2
Molecular Weight230.66 g/mol
Exact Mass230.06
IUPAC Name2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate
SMILESCc1nc(Cl)cc(NCCOC(N)=O)n1
InChIInChI=1S/C8H11ClN4O2/c1-5-12-6(9)4-7(13-5)11-2-3-15-8(10)14/h4H,2-3H2,1H3,(H2,10,14)(H,11,12,13)
InChIKeyLNNUVCNHNRQUHD-UHFFFAOYSA-N
XLogP0.95
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 50.95
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-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl carbamate
CID 83204103
ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
CID 62481737
6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576938
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate
CID 114766558
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
(2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
CID 97073917
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
CID 71908396
2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate
CID 83204348
N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine
CID 115605791
3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098086
N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 133288706
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate
CID 136976721

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate (CID 83203473) is 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate is Cc1nc(Cl)cc(NCCOC(N)=O)n1.
What is the InChIKey of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate?
The InChIKey is LNNUVCNHNRQUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c1-5-12-6(9)4-7(13-5)11-2-3-15-8(10)14/h4H,2-3H2,1H3,(H2,10,14)(H,11,12,13).
What are the key properties of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate?
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate has a molecular weight of 230.66 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate is sourced from PubChem (CID 83203473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).