N-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide

C12H21N5O — CID 50959033

IUPACN-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide
SMILESCCNc1ccnc(NCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H21N5O/c1-5-13-9-6-7-14-11(16-9)15-8-10(18)17-12(2,3)4/h6-7H,5,8H2,1-4H3,(H,17,18)(H2,13,14,15,16)
InChIKeyNLPNTHBBHXTTSC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.24
Rot. Bonds5

About N-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide

N-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide (PubChem CID 50959033) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide
PubChem CID50959033
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide
SMILESCCNc1ccnc(NCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H21N5O/c1-5-13-9-6-7-14-11(16-9)15-8-10(18)17-12(2,3)4/h6-7H,5,8H2,1-4H3,(H,17,18)(H2,13,14,15,16)
InChIKeyNLPNTHBBHXTTSC-UHFFFAOYSA-N
XLogP1.24
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide (CID 50959033) is N-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide is CCNc1ccnc(NCC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide?
The InChIKey is NLPNTHBBHXTTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-13-9-6-7-14-11(16-9)15-8-10(18)17-12(2,3)4/h6-7H,5,8H2,1-4H3,(H,17,18)(H2,13,14,15,16).
What are the key properties of N-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide?
N-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[4-(ethylamino)pyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 50959033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).