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

C12H21N5O — CID 80813999

IUPACN,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1nccc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C12H21N5O/c1-4-7-14-12-15-8-5-10(16-12)13-9-6-11(18)17(2)3/h5,8H,4,6-7,9H2,1-3H3,(H2,13,14,15,16)
InChIKeyDEQAAJGZVGYEFI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.19
Rot. Bonds7

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

N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80813999) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80813999
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1nccc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C12H21N5O/c1-4-7-14-12-15-8-5-10(16-12)13-9-6-11(18)17(2)3/h5,8H,4,6-7,9H2,1-3H3,(H2,13,14,15,16)
InChIKeyDEQAAJGZVGYEFI-UHFFFAOYSA-N
XLogP1.19
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.19
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
N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 133297213
N,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80802710
3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80787264
3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide
CID 80813274
4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797099
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922
N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332352
N,N-dimethyl-3-[(6-methyl-2-pyridinyl)amino]propanamide
CID 60926392
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine
CID 105420883
3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80787004
4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114131267

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide (CID 80813999) is N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide is CCCNc1nccc(NCCC(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is DEQAAJGZVGYEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-7-14-12-15-8-5-10(16-12)13-9-6-11(18)17(2)3/h5,8H,4,6-7,9H2,1-3H3,(H2,13,14,15,16).
What are the key properties of N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide?
N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.19, 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-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80813999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).