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

C13H23N5O — CID 106029091

IUPAC2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCOCc1nc(N)cc(NCC2CCCN2C)n1
InChIInChI=1S/C13H23N5O/c1-3-19-9-13-16-11(14)7-12(17-13)15-8-10-5-4-6-18(10)2/h7,10H,3-6,8-9H2,1-2H3,(H3,14,15,16,17)
InChIKeyBKJLXQXYVLBSSK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.10
Rot. Bonds6

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

2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 106029091) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID106029091
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCOCc1nc(N)cc(NCC2CCCN2C)n1
InChIInChI=1S/C13H23N5O/c1-3-19-9-13-16-11(14)7-12(17-13)15-8-10-5-4-6-18(10)2/h7,10H,3-6,8-9H2,1-2H3,(H3,14,15,16,17)
InChIKeyBKJLXQXYVLBSSK-UHFFFAOYSA-N
XLogP1.10
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethoxymethyl)-6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026088
2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 106028942
2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80962152
2-ethyl-6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026109
4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine
CID 113401294
4-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 106029078
6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106022889
6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 80947634
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,5-diamine
CID 106028605
4-N-(cyclopentylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933112
4-N-(cyclobutylmethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401346
4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933363

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine (CID 106029091) is 2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine is CCOCc1nc(N)cc(NCC2CCCN2C)n1.
What is the InChIKey of 2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is BKJLXQXYVLBSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-19-9-13-16-11(14)7-12(17-13)15-8-10-5-4-6-18(10)2/h7,10H,3-6,8-9H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 265.36 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106029091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).