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

C12H21N5O — CID 80802710

IUPACN,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1nccc(NC(C)C(=O)N(C)C)n1
InChIInChI=1S/C12H21N5O/c1-5-7-13-12-14-8-6-10(16-12)15-9(2)11(18)17(3)4/h6,8-9H,5,7H2,1-4H3,(H2,13,14,15,16)
InChIKeyZNZMKTQEZJCBMO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.19
Rot. Bonds6

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

N,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80802710) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80802710
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1nccc(NC(C)C(=O)N(C)C)n1
InChIInChI=1S/C12H21N5O/c1-5-7-13-12-14-8-6-10(16-12)15-9(2)11(18)17(3)4/h6,8-9H,5,7H2,1-4H3,(H2,13,14,15,16)
InChIKeyZNZMKTQEZJCBMO-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 64829483
N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80813999
3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180272
4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80830735
N,N-dimethyl-2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 103325902
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112883545
4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159619
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine
CID 105420883
4-N-(2-methoxypropyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 112754759
6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 55053417

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of N,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide (CID 80802710) is N,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide is CCCNc1nccc(NC(C)C(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is ZNZMKTQEZJCBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-7-13-12-14-8-6-10(16-12)15-9(2)11(18)17(3)4/h6,8-9H,5,7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of N,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide?
N,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.19, 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-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80802710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).