3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea

C14H26N6O — CID 83118658

IUPAC3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
SMILESCCNc1ncnc(NCCNC(=O)N(C)C)c1C(C)C
InChIInChI=1S/C14H26N6O/c1-6-15-12-11(10(2)3)13(19-9-18-12)16-7-8-17-14(21)20(4)5/h9-10H,6-8H2,1-5H3,(H,17,21)(H2,15,16,18,19)
InChIKeyGVTWRRFSBCCIOQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.71
Rot. Bonds7

About 3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea

3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea (PubChem CID 83118658) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
PubChem CID83118658
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
SMILESCCNc1ncnc(NCCNC(=O)N(C)C)c1C(C)C
InChIInChI=1S/C14H26N6O/c1-6-15-12-11(10(2)3)13(19-9-18-12)16-7-8-17-14(21)20(4)5/h9-10H,6-8H2,1-5H3,(H,17,21)(H2,15,16,18,19)
InChIKeyGVTWRRFSBCCIOQ-UHFFFAOYSA-N
XLogP1.71
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777504
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
3-[2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83114298
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide
CID 80787854
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80903053
methyl 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80801917
6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804395
N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80786397
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347461
3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 63730180

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea (CID 83118658) is 3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea is CCNc1ncnc(NCCNC(=O)N(C)C)c1C(C)C.
What is the InChIKey of 3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea?
The InChIKey is GVTWRRFSBCCIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-6-15-12-11(10(2)3)13(19-9-18-12)16-7-8-17-14(21)20(4)5/h9-10H,6-8H2,1-5H3,(H,17,21)(H2,15,16,18,19).
What are the key properties of 3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea?
3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea has a molecular weight of 294.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83118658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).