4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine

C13H22N4 — CID 112882540

IUPAC4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESC=CCNc1ccnc(N(CCC)CCC)n1
InChIInChI=1S/C13H22N4/c1-4-8-14-12-7-9-15-13(16-12)17(10-5-2)11-6-3/h4,7,9H,1,5-6,8,10-11H2,2-3H3,(H,14,15,16)
InChIKeyXFBWCKMIAARFAR-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.70
Rot. Bonds8

About 4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine

4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112882540) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
PubChem CID112882540
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESC=CCNc1ccnc(N(CCC)CCC)n1
InChIInChI=1S/C13H22N4/c1-4-8-14-12-7-9-15-13(16-12)17(10-5-2)11-6-3/h4,7,9H,1,5-6,8,10-11H2,2-3H3,(H,14,15,16)
InChIKeyXFBWCKMIAARFAR-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901298
4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901361
4-ethyl-N,N-dipropylpyrimidin-2-amine
CID 71106821
2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112901322
4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901279
2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907755
4-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901347
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486
4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882662
N-prop-2-enylpyrido[2,3-b]pyrazin-6-amine
CID 78988348
4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882663
2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine
CID 112882826

Frequently Asked Questions

What is the IUPAC name of 4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine (CID 112882540) is 4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine is C=CCNc1ccnc(N(CCC)CCC)n1.
What is the InChIKey of 4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is XFBWCKMIAARFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-8-14-12-7-9-15-13(16-12)17(10-5-2)11-6-3/h4,7,9H,1,5-6,8,10-11H2,2-3H3,(H,14,15,16).
What are the key properties of 4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112882540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).