5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide

C12H21N5O — CID 114162867

IUPAC5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide
SMILESCCNc1cc(NCCCCC(N)=O)nc(C)n1
InChIInChI=1S/C12H21N5O/c1-3-14-11-8-12(17-9(2)16-11)15-7-5-4-6-10(13)18/h8H,3-7H2,1-2H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyISTYHMNBNQPINM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.28
Rot. Bonds8

About 5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide

5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide (PubChem CID 114162867) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide.

Molecular Properties

Compound Name5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide
PubChem CID114162867
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide
SMILESCCNc1cc(NCCCCC(N)=O)nc(C)n1
InChIInChI=1S/C12H21N5O/c1-3-14-11-8-12(17-9(2)16-11)15-7-5-4-6-10(13)18/h8H,3-7H2,1-2H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyISTYHMNBNQPINM-UHFFFAOYSA-N
XLogP1.28
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862
4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
CID 80933799
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241607
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202
5-[(2-amino-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106241520
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]pentanamide
CID 121074548
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026
3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098719
6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818952
5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241594
3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786995
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 45497028

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide?
The IUPAC name of 5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide (CID 114162867) is 5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide.
What is the SMILES notation for 5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide?
The canonical SMILES for 5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide is CCNc1cc(NCCCCC(N)=O)nc(C)n1.
What is the InChIKey of 5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide?
The InChIKey is ISTYHMNBNQPINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-14-11-8-12(17-9(2)16-11)15-7-5-4-6-10(13)18/h8H,3-7H2,1-2H3,(H2,13,18)(H2,14,15,16,17).
What are the key properties of 5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide?
5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide has a molecular weight of 251.33 g/mol, XLogP of 1.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide is sourced from PubChem (CID 114162867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).