1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine

C16H30N4O — CID 83187513

IUPAC1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine
SMILESCc1nc(OCC(C)(C)N(C)C)ncc1CNC(C)(C)C
InChIInChI=1S/C16H30N4O/c1-12-13(10-18-15(2,3)4)9-17-14(19-12)21-11-16(5,6)20(7)8/h9,18H,10-11H2,1-8H3
InChIKeyZVPRDNPRWBIGAP-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.39
Rot. Bonds6

About 1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine

1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine (PubChem CID 83187513) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine
PubChem CID83187513
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine
SMILESCc1nc(OCC(C)(C)N(C)C)ncc1CNC(C)(C)C
InChIInChI=1S/C16H30N4O/c1-12-13(10-18-15(2,3)4)9-17-14(19-12)21-11-16(5,6)20(7)8/h9,18H,10-11H2,1-8H3
InChIKeyZVPRDNPRWBIGAP-UHFFFAOYSA-N
XLogP2.39
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine (CID 83187513) is 1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine is Cc1nc(OCC(C)(C)N(C)C)ncc1CNC(C)(C)C.
What is the InChIKey of 1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine?
The InChIKey is ZVPRDNPRWBIGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-12-13(10-18-15(2,3)4)9-17-14(19-12)21-11-16(5,6)20(7)8/h9,18H,10-11H2,1-8H3.
What are the key properties of 1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine?
1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 83187513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).