4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine

C13H24N4O — CID 114221034

IUPAC4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
SMILESCOCCNc1nc(C)cc(CNC(C)(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10-8-11(9-15-13(2,3)4)17-12(16-10)14-6-7-18-5/h8,15H,6-7,9H2,1-5H3,(H,14,16,17)
InChIKeyQXBWQAZCCOZNBL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.73
Rot. Bonds6

About 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine

4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine (PubChem CID 114221034) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
PubChem CID114221034
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
SMILESCOCCNc1nc(C)cc(CNC(C)(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10-8-11(9-15-13(2,3)4)17-12(16-10)14-6-7-18-5/h8,15H,6-7,9H2,1-5H3,(H,14,16,17)
InChIKeyQXBWQAZCCOZNBL-UHFFFAOYSA-N
XLogP1.73
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513
N-[(2-tert-butyl-6-methylpyrimidin-4-yl)methyl]-2-methylpropan-2-amine
CID 62746756
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911567
4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 107541939
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine
CID 87732677
2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 110277893
4-N-[(2-fluorophenyl)methyl]-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911522
N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 65138090
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491491

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine (CID 114221034) is 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine is COCCNc1nc(C)cc(CNC(C)(C)C)n1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine?
The InChIKey is QXBWQAZCCOZNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-8-11(9-15-13(2,3)4)17-12(16-10)14-6-7-18-5/h8,15H,6-7,9H2,1-5H3,(H,14,16,17).
What are the key properties of 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine?
4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 114221034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).