6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine

C15H29N5O — CID 80804395

IUPAC6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCN(C)CCOC)c1C(C)C
InChIInChI=1S/C15H29N5O/c1-6-16-14-13(12(2)3)15(19-11-18-14)17-7-8-20(4)9-10-21-5/h11-12H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyBPVSBOGPDICNGZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.02
Rot. Bonds10

About 6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80804395) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80804395
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCN(C)CCOC)c1C(C)C
InChIInChI=1S/C15H29N5O/c1-6-16-14-13(12(2)3)15(19-11-18-14)17-7-8-20(4)9-10-21-5/h11-12H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyBPVSBOGPDICNGZ-UHFFFAOYSA-N
XLogP2.02
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine (CID 80804395) is 6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine is CCNc1ncnc(NCCN(C)CCOC)c1C(C)C.
What is the InChIKey of 6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is BPVSBOGPDICNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-6-16-14-13(12(2)3)15(19-11-18-14)17-7-8-20(4)9-10-21-5/h11-12H,6-10H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 295.43 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80804395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).