2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate

C10H15ClN4O2 — CID 83203057

IUPAC2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate
SMILESCC(C)c1c(Cl)ncnc1NCCOC(N)=O
InChIInChI=1S/C10H15ClN4O2/c1-6(2)7-8(11)14-5-15-9(7)13-3-4-17-10(12)16/h5-6H,3-4H2,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeySRCFKORWRVNELF-UHFFFAOYSA-N
MW258.71 g/mol
LogP1.76
Rot. Bonds5

About 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate

2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate (PubChem CID 83203057) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate
PubChem CID83203057
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate
SMILESCC(C)c1c(Cl)ncnc1NCCOC(N)=O
InChIInChI=1S/C10H15ClN4O2/c1-6(2)7-8(11)14-5-15-9(7)13-3-4-17-10(12)16/h5-6H,3-4H2,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeySRCFKORWRVNELF-UHFFFAOYSA-N
XLogP1.76
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.76
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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate (CID 83203057) is 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate is CC(C)c1c(Cl)ncnc1NCCOC(N)=O.
What is the InChIKey of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate?
The InChIKey is SRCFKORWRVNELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-6(2)7-8(11)14-5-15-9(7)13-3-4-17-10(12)16/h5-6H,3-4H2,1-2H3,(H2,12,16)(H,13,14,15).
What are the key properties of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate?
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate has a molecular weight of 258.71 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate is sourced from PubChem (CID 83203057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).