4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine

C15H29N5 — CID 80777022

IUPAC4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCCCN(CC)CC)n1
InChIInChI=1S/C15H29N5/c1-5-9-17-15-18-13(4)12-14(19-15)16-10-8-11-20(6-2)7-3/h12H,5-11H2,1-4H3,(H2,16,17,18,19)
InChIKeyMYCVZPNEKQBIFV-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.75
Rot. Bonds10

About 4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80777022) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80777022
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCCCN(CC)CC)n1
InChIInChI=1S/C15H29N5/c1-5-9-17-15-18-13(4)12-14(19-15)16-10-8-11-20(6-2)7-3/h12H,5-11H2,1-4H3,(H2,16,17,18,19)
InChIKeyMYCVZPNEKQBIFV-UHFFFAOYSA-N
XLogP2.75
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 504351
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80778408
4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939676
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112913006
4-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80777282
6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 113480698
N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80814000
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80814127
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80784037

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80777022) is 4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NCCCN(CC)CC)n1.
What is the InChIKey of 4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is MYCVZPNEKQBIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-5-9-17-15-18-13(4)12-14(19-15)16-10-8-11-20(6-2)7-3/h12H,5-11H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80777022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).