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

C7H11N5O2 — CID 83215450

IUPAC2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNc1cc(N)ncn1
InChIInChI=1S/C7H11N5O2/c8-5-3-6(12-4-11-5)10-1-2-14-7(9)13/h3-4H,1-2H2,(H2,9,13)(H3,8,10,11,12)
InChIKeyRBELVXQDWIKXFS-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.43
Rot. Bonds4

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

2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate (PubChem CID 83215450) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate
PubChem CID83215450
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNc1cc(N)ncn1
InChIInChI=1S/C7H11N5O2/c8-5-3-6(12-4-11-5)10-1-2-14-7(9)13/h3-4H,1-2H2,(H2,9,13)(H3,8,10,11,12)
InChIKeyRBELVXQDWIKXFS-UHFFFAOYSA-N
XLogP-0.43
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.43
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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Related Compounds

N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide
CID 79006981
3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide
CID 80819831
4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 80770931
2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate
CID 83201893
2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240051
2-(pyridin-4-ylamino)ethyl carbamate
CID 83203137
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203473
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl carbamate
CID 83204103
2-[2-[(6-ethylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106239747
5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162981
2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate
CID 83202225
4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80790889

Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate (CID 83215450) is 2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate is NC(=O)OCCNc1cc(N)ncn1.
What is the InChIKey of 2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate?
The InChIKey is RBELVXQDWIKXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c8-5-3-6(12-4-11-5)10-1-2-14-7(9)13/h3-4H,1-2H2,(H2,9,13)(H3,8,10,11,12).
What are the key properties of 2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate?
2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate has a molecular weight of 197.20 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate is sourced from PubChem (CID 83215450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).