5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine

C19H28N6 — CID 134569005

IUPAC5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine
SMILESC=C(NC)c1cccc(CCc2cnc(N)nc2NCCCCC)n1
InChIInChI=1S/C19H28N6/c1-4-5-6-12-22-18-15(13-23-19(20)25-18)10-11-16-8-7-9-17(24-16)14(2)21-3/h7-9,13,21H,2,4-6,10-12H2,1,3H3,(H3,20,22,23,25)
InChIKeySWVWQFCUOWRUKX-UHFFFAOYSA-N
MW340.48 g/mol
LogP3.03
Rot. Bonds10

About 5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine

5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine (PubChem CID 134569005) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine
PubChem CID134569005
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine
SMILESC=C(NC)c1cccc(CCc2cnc(N)nc2NCCCCC)n1
InChIInChI=1S/C19H28N6/c1-4-5-6-12-22-18-15(13-23-19(20)25-18)10-11-16-8-7-9-17(24-16)14(2)21-3/h7-9,13,21H,2,4-6,10-12H2,1,3H3,(H3,20,22,23,25)
InChIKeySWVWQFCUOWRUKX-UHFFFAOYSA-N
XLogP3.03
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-5-hexylpyrimidine-2,4-diamine
CID 123602752
4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine
CID 134569298
4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 134568943
4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine
CID 134569287
4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine
CID 134569274
CID 89037212
CID 89037212
4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine
CID 71155558
4-[[2-amino-5-[(4-chlorophenyl)methyl]pyrimidin-4-yl]amino]butan-1-ol
CID 18432494
1-[[2-amino-4-(butylamino)pyrimidin-5-yl]methyl]-3-fluoropyridin-2-one
CID 121288798
4-N-butyl-5-[(4-ethylphenyl)methylsulfanyl]pyrimidine-2,4-diamine
CID 134569001
4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine
CID 70856461
5-N-but-3-enyl-4-N-butylpyrimidine-2,4,5-triamine
CID 135252889

Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine?
The IUPAC name of 5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine (CID 134569005) is 5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine is C=C(NC)c1cccc(CCc2cnc(N)nc2NCCCCC)n1.
What is the InChIKey of 5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine?
The InChIKey is SWVWQFCUOWRUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-4-5-6-12-22-18-15(13-23-19(20)25-18)10-11-16-8-7-9-17(24-16)14(2)21-3/h7-9,13,21H,2,4-6,10-12H2,1,3H3,(H3,20,22,23,25).
What are the key properties of 5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine?
5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine has a molecular weight of 340.48 g/mol, XLogP of 3.03, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine is sourced from PubChem (CID 134569005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).