2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine

C14H25N5O — CID 106028942

IUPAC2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCOCc1nc(NC)cc(NCC2CCCN2C)n1
InChIInChI=1S/C14H25N5O/c1-4-20-10-14-17-12(15-2)8-13(18-14)16-9-11-6-5-7-19(11)3/h8,11H,4-7,9-10H2,1-3H3,(H2,15,16,17,18)
InChIKeySYPYMBWAIIYYFM-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.56
Rot. Bonds7

About 2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine

2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 106028942) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID106028942
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCOCc1nc(NC)cc(NCC2CCCN2C)n1
InChIInChI=1S/C14H25N5O/c1-4-20-10-14-17-12(15-2)8-13(18-14)16-9-11-6-5-7-19(11)3/h8,11H,4-7,9-10H2,1-3H3,(H2,15,16,17,18)
InChIKeySYPYMBWAIIYYFM-UHFFFAOYSA-N
XLogP1.56
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine (CID 106028942) is 2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine is CCOCc1nc(NC)cc(NCC2CCCN2C)n1.
What is the InChIKey of 2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is SYPYMBWAIIYYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-20-10-14-17-12(15-2)8-13(18-14)16-9-11-6-5-7-19(11)3/h8,11H,4-7,9-10H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 279.39 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106028942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).