4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine

C15H21N5O — CID 82733718

IUPAC4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1ncnc(NCc2ncccc2CC)c1N
InChIInChI=1S/C15H21N5O/c1-3-8-21-15-13(16)14(19-10-20-15)18-9-12-11(4-2)6-5-7-17-12/h5-7,10H,3-4,8-9,16H2,1-2H3,(H,18,19,20)
InChIKeyPFEKNCPMFAGRRT-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.42
Rot. Bonds7

About 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine

4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine (PubChem CID 82733718) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine
PubChem CID82733718
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1ncnc(NCc2ncccc2CC)c1N
InChIInChI=1S/C15H21N5O/c1-3-8-21-15-13(16)14(19-10-20-15)18-9-12-11(4-2)6-5-7-17-12/h5-7,10H,3-4,8-9,16H2,1-2H3,(H,18,19,20)
InChIKeyPFEKNCPMFAGRRT-UHFFFAOYSA-N
XLogP2.42
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine
CID 106894823
4-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 82747168
N-[(3-ethyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82740111
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106167427
4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455299
4-N-(3-methylbut-2-enyl)-6-propoxypyrimidine-4,5-diamine
CID 106182344
2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 106890669
2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide
CID 106234455
6-butoxy-4-N-[(4-chlorophenyl)methyl]pyrimidine-4,5-diamine
CID 82455263
4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine
CID 81289753
N-[(3-ethyl-2-pyridinyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686617
N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 82739102

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine (CID 82733718) is 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine is CCCOc1ncnc(NCc2ncccc2CC)c1N.
What is the InChIKey of 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine?
The InChIKey is PFEKNCPMFAGRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-8-21-15-13(16)14(19-10-20-15)18-9-12-11(4-2)6-5-7-17-12/h5-7,10H,3-4,8-9,16H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine?
4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82733718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).