3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide

C14H25N5O — CID 106918578

IUPAC3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide
SMILESCCNc1cc(N(C)CCC(=O)NC)nc(C(C)C)n1
InChIInChI=1S/C14H25N5O/c1-6-16-11-9-12(18-14(17-11)10(2)3)19(5)8-7-13(20)15-4/h9-10H,6-8H2,1-5H3,(H,15,20)(H,16,17,18)
InChIKeyRZBPCBFPTOUHPA-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.60
Rot. Bonds7

About 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide

3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide (PubChem CID 106918578) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide
PubChem CID106918578
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide
SMILESCCNc1cc(N(C)CCC(=O)NC)nc(C(C)C)n1
InChIInChI=1S/C14H25N5O/c1-6-16-11-9-12(18-14(17-11)10(2)3)19(5)8-7-13(20)15-4/h9-10H,6-8H2,1-5H3,(H,15,20)(H,16,17,18)
InChIKeyRZBPCBFPTOUHPA-UHFFFAOYSA-N
XLogP1.60
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80959784
2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80960984
6-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967785
4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80949421
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961199
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80961038
2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80961506
3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917442
6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956228
1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80957681
3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106918557
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 102640212

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide (CID 106918578) is 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide is CCNc1cc(N(C)CCC(=O)NC)nc(C(C)C)n1.
What is the InChIKey of 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The InChIKey is RZBPCBFPTOUHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-6-16-11-9-12(18-14(17-11)10(2)3)19(5)8-7-13(20)15-4/h9-10H,6-8H2,1-5H3,(H,15,20)(H,16,17,18).
What are the key properties of 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide?
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide has a molecular weight of 279.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106918578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).