2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide

C14H25N5O — CID 80933651

IUPAC2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(NCC)nc(CC)n1
InChIInChI=1S/C14H25N5O/c1-5-8-16-14(20)10-19(4)13-9-12(15-7-3)17-11(6-2)18-13/h9H,5-8,10H2,1-4H3,(H,16,20)(H,15,17,18)
InChIKeyYELOHJKQRCKTBX-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.43
Rot. Bonds8

About 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide

2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide (PubChem CID 80933651) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide
PubChem CID80933651
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(NCC)nc(CC)n1
InChIInChI=1S/C14H25N5O/c1-5-8-16-14(20)10-19(4)13-9-12(15-7-3)17-11(6-2)18-13/h9H,5-8,10H2,1-4H3,(H,16,20)(H,15,17,18)
InChIKeyYELOHJKQRCKTBX-UHFFFAOYSA-N
XLogP1.43
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 80940171
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80935631
N-cyclopropyl-2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80934592
N-cyclopropyl-2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]acetamide
CID 80941047
N-ethyl-2-[ethyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80941432
2-[(2-amino-2-oxoethyl)-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80934481
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80935287
6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80942506
N-ethyl-2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]acetamide
CID 113401806
2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 114053145
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide
CID 80808415

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide (CID 80933651) is 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1cc(NCC)nc(CC)n1.
What is the InChIKey of 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide?
The InChIKey is YELOHJKQRCKTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-8-16-14(20)10-19(4)13-9-12(15-7-3)17-11(6-2)18-13/h9H,5-8,10H2,1-4H3,(H,16,20)(H,15,17,18).
What are the key properties of 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide?
2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide has a molecular weight of 279.39 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 80933651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).