N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide

C13H23N5O — CID 80814000

IUPACN,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1nc(C)cc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C13H23N5O/c1-5-7-15-13-16-10(2)9-11(17-13)14-8-6-12(19)18(3)4/h9H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeySEYBXCUAVOAZEY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.50
Rot. Bonds7

About N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide

N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80814000) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80814000
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1nc(C)cc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C13H23N5O/c1-5-7-15-13-16-10(2)9-11(17-13)14-8-6-12(19)18(3)4/h9H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeySEYBXCUAVOAZEY-UHFFFAOYSA-N
XLogP1.50
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80814270
N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80784037
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80813999
ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate
CID 80816143
6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 113480698
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777022
4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80814127
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80903463
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
4-[2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776172

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide (CID 80814000) is N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide is CCCNc1nc(C)cc(NCCC(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is SEYBXCUAVOAZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-7-15-13-16-10(2)9-11(17-13)14-8-6-12(19)18(3)4/h9H,5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide?
N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80814000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).