N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide

C14H25N5O — CID 45497028

IUPACN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide
SMILESCCNc1cc(NCCNC(=O)C(C)(C)C)nc(C)n1
InChIInChI=1S/C14H25N5O/c1-6-15-11-9-12(19-10(2)18-11)16-7-8-17-13(20)14(3,4)5/h9H,6-8H2,1-5H3,(H,17,20)(H2,15,16,18,19)
InChIKeyPNKGWJPPCMOQLD-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.79
Rot. Bonds6

About N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide

N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 45497028) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide
PubChem CID45497028
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide
SMILESCCNc1cc(NCCNC(=O)C(C)(C)C)nc(C)n1
InChIInChI=1S/C14H25N5O/c1-6-15-11-9-12(19-10(2)18-11)16-7-8-17-13(20)14(3,4)5/h9H,6-8H2,1-5H3,(H,17,20)(H2,15,16,18,19)
InChIKeyPNKGWJPPCMOQLD-UHFFFAOYSA-N
XLogP1.79
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide (CID 45497028) is N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide is CCNc1cc(NCCNC(=O)C(C)(C)C)nc(C)n1.
What is the InChIKey of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is PNKGWJPPCMOQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-6-15-11-9-12(19-10(2)18-11)16-7-8-17-13(20)14(3,4)5/h9H,6-8H2,1-5H3,(H,17,20)(H2,15,16,18,19).
What are the key properties of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 279.39 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 45497028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).