2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate

C8H13N5O2 — CID 83215057

IUPAC2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate
SMILESCc1cnc(N)nc1NCCOC(N)=O
InChIInChI=1S/C8H13N5O2/c1-5-4-12-7(9)13-6(5)11-2-3-15-8(10)14/h4H,2-3H2,1H3,(H2,10,14)(H3,9,11,12,13)
InChIKeyBQIOCTXOTWXKHA-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.13
Rot. Bonds4

About 2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate

2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate (PubChem CID 83215057) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate
PubChem CID83215057
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate
SMILESCc1cnc(N)nc1NCCOC(N)=O
InChIInChI=1S/C8H13N5O2/c1-5-4-12-7(9)13-6(5)11-2-3-15-8(10)14/h4H,2-3H2,1H3,(H2,10,14)(H3,9,11,12,13)
InChIKeyBQIOCTXOTWXKHA-UHFFFAOYSA-N
XLogP-0.13
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate (CID 83215057) is 2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate is Cc1cnc(N)nc1NCCOC(N)=O.
What is the InChIKey of 2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate?
The InChIKey is BQIOCTXOTWXKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-5-4-12-7(9)13-6(5)11-2-3-15-8(10)14/h4H,2-3H2,1H3,(H2,10,14)(H3,9,11,12,13).
What are the key properties of 2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate?
2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate has a molecular weight of 211.22 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate is sourced from PubChem (CID 83215057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).