4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile

C11H16ClN5 — CID 134097040

IUPAC4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile
SMILESCCNc1nc(Cl)c(C#N)c(NC(C)(C)C)n1
InChIInChI=1S/C11H16ClN5/c1-5-14-10-15-8(12)7(6-13)9(16-10)17-11(2,3)4/h5H2,1-4H3,(H2,14,15,16,17)
InChIKeySAPNFGCLCJSTGU-UHFFFAOYSA-N
MW253.74 g/mol
LogP2.64
Rot. Bonds3

About 4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile

4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile (PubChem CID 134097040) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile
PubChem CID134097040
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile
SMILESCCNc1nc(Cl)c(C#N)c(NC(C)(C)C)n1
InChIInChI=1S/C11H16ClN5/c1-5-14-10-15-8(12)7(6-13)9(16-10)17-11(2,3)4/h5H2,1-4H3,(H2,14,15,16,17)
InChIKeySAPNFGCLCJSTGU-UHFFFAOYSA-N
XLogP2.64
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile 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-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
5-chloro-2-(ethylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 155040763
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide
CID 12539665
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile
CID 106595002
6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane
CID 88700506
4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile
CID 20510210
4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile
CID 134097252
2-chloro-6-(2-ethylhydrazinyl)-4-methylpyridine-3-carbonitrile
CID 142756409

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile (CID 134097040) is 4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile is CCNc1nc(Cl)c(C#N)c(NC(C)(C)C)n1.
What is the InChIKey of 4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile?
The InChIKey is SAPNFGCLCJSTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-5-14-10-15-8(12)7(6-13)9(16-10)17-11(2,3)4/h5H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile?
4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile has a molecular weight of 253.74 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 134097040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).