N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide

C14H25N5O — CID 80800852

IUPACN-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide
SMILESCCCc1c(NCC)ncnc1NC(C)C(=O)NCC
InChIInChI=1S/C14H25N5O/c1-5-8-11-12(15-6-2)17-9-18-13(11)19-10(4)14(20)16-7-3/h9-10H,5-8H2,1-4H3,(H,16,20)(H2,15,17,18,19)
InChIKeySGRSPYMUACKAAH-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.80
Rot. Bonds8

About N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide

N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide (PubChem CID 80800852) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide
PubChem CID80800852
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide
SMILESCCCc1c(NCC)ncnc1NC(C)C(=O)NCC
InChIInChI=1S/C14H25N5O/c1-5-8-11-12(15-6-2)17-9-18-13(11)19-10(4)14(20)16-7-3/h9-10H,5-8H2,1-4H3,(H,16,20)(H2,15,17,18,19)
InChIKeySGRSPYMUACKAAH-UHFFFAOYSA-N
XLogP1.80
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80802366
N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
CID 80800935
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
CID 113344286
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80801346
2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80800536
6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine
CID 80822476
4-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852827
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
methyl 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80801917
N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80788303
2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
CID 66340999
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80896950

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide?
The IUPAC name of N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide (CID 80800852) is N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide is CCCc1c(NCC)ncnc1NC(C)C(=O)NCC.
What is the InChIKey of N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide?
The InChIKey is SGRSPYMUACKAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-8-11-12(15-6-2)17-9-18-13(11)19-10(4)14(20)16-7-3/h9-10H,5-8H2,1-4H3,(H,16,20)(H2,15,17,18,19).
What are the key properties of N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide?
N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide has a molecular weight of 279.39 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80800852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).