N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide

C12H21N5O — CID 80784037

IUPACN,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1nc(C)cc(NCC(=O)N(C)C)n1
InChIInChI=1S/C12H21N5O/c1-5-6-13-12-15-9(2)7-10(16-12)14-8-11(18)17(3)4/h7H,5-6,8H2,1-4H3,(H2,13,14,15,16)
InChIKeyDVUZCMTXWASOPH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.11
Rot. Bonds6

About N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide

N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide (PubChem CID 80784037) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
PubChem CID80784037
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1nc(C)cc(NCC(=O)N(C)C)n1
InChIInChI=1S/C12H21N5O/c1-5-6-13-12-15-9(2)7-10(16-12)14-8-11(18)17(3)4/h7H,5-6,8H2,1-4H3,(H2,13,14,15,16)
InChIKeyDVUZCMTXWASOPH-UHFFFAOYSA-N
XLogP1.11
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80814000
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80814270
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80783926
6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 113480698
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80784036
4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777022
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842663
4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80814127
4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 113478373
4-[2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776172
4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159611

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide (CID 80784037) is N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide is CCCNc1nc(C)cc(NCC(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide?
The InChIKey is DVUZCMTXWASOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-6-13-12-15-9(2)7-10(16-12)14-8-11(18)17(3)4/h7H,5-6,8H2,1-4H3,(H2,13,14,15,16).
What are the key properties of N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide?
N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 80784037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).