4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine

C12H23N5 — CID 80820218

IUPAC4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCC(C)N(C)C
InChIInChI=1S/C12H23N5/c1-5-6-10-11(13)15-8-16-12(10)14-7-9(2)17(3)4/h8-9H,5-7H2,1-4H3,(H3,13,14,15,16)
InChIKeyWGTAAQHTVULYFM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.37
Rot. Bonds6

About 4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine

4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine (PubChem CID 80820218) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
PubChem CID80820218
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCC(C)N(C)C
InChIInChI=1S/C12H23N5/c1-5-6-10-11(13)15-8-16-12(10)14-7-9(2)17(3)4/h8-9H,5-7H2,1-4H3,(H3,13,14,15,16)
InChIKeyWGTAAQHTVULYFM-UHFFFAOYSA-N
XLogP1.37
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine
CID 102701914
5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 106811925
4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine
CID 80818981
4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine
CID 113450992
3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80852382
4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819158
1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106150169
4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
CID 80765819
4-N-(2-methylsulfanylethyl)-5-propylpyrimidine-4,6-diamine
CID 80838235
4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80759282
4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine
CID 106761045
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol
CID 80850758

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine (CID 80820218) is 4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1NCC(C)N(C)C.
What is the InChIKey of 4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine?
The InChIKey is WGTAAQHTVULYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-6-10-11(13)15-8-16-12(10)14-7-9(2)17(3)4/h8-9H,5-7H2,1-4H3,(H3,13,14,15,16).
What are the key properties of 4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80820218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).